3-[(prop-2-yn-1-yl)carbamoyl]benzoic acid
Structure Info
- Chemspace ID
- CSSB00000726060 (In-Stock Building Blocks)
- CAS
- 1154949-93-5
- MFCD
- MFCD12173469, MFCD12173469
- IUPAC Name
- 3-[(prop-2-yn-1-yl)carbamoyl]benzoic acid
- Mol formula
- C11H9NO3
- Mol weight
- 203 Da
- Catalog Number(s)
- A1066406, AG01B7NJ, AKOS009498279, ArZ-UP167736, BBLS00000726060, BBV-22167106, BD01052802, CSC000726060, CSCR00001543842, EN300-197467, ST01B94B, TX01B8T7, Y4020542, Z1537398698, ZX-NM211011, bbls00000726060, s_269946_25349822_8166834, s_269946____25349822____8166834
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.93
- Heavy atoms count
- 15
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.09
- Polar surface area (Å)
- 66
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
![Chemical structure of 3-[(prop-2-yn-1-yl)carbamoyl]benzoic acid (C11H9NO3) - CSSB00000726060](/st/structure/200/cef0427f1215befee35019e325d2b7b5/OC%2528%253DO%2529C1%253DCC%253DCC%2528%253DC1%2529C%2528%253DO%2529NCC%2523C.png "C11H9NO3")
- Zoom the structure
- CSSB00000726060
Items Overall 20 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 89.57 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 122.15 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 170.08 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 209.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 275.00 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 50 mg | 264.00 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 100 mg | 368.50 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 250 mg | 503.80 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 500 mg | 763.40 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 1 g | 962.50 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 2.5 g | 1,834.80 | |
| 1st Scientific LLC | 7 days | United States To: | 90 | 5 g | 2,689.50 | |
Description: 3-[(prop-2-yn-1-yl)carbamoyl]benzoic acid; CAS: 1154949-93-5 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 182.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 272.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 389.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 612.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 785.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,539.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,277.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,376.00 | |
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Substructure Analogs
![Chemical structure of methyl 3-bromo-5-[(prop-2-yn-1-yl)carbamoyl]benzoate - CSSB01999410599](/st/structure/200/0f5de34dc5179ada6fa88b9c4a5266e6/C%2523CCNC%2528%253DO%2529C1%253DCC%2528C%2528%253DO%2529OC%2529%253DCC%2528Br%2529%253DC1.png)
![Chemical structure of 3',6'-dihydroxy-3-oxo-N-(prop-2-yn-1-yl)-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxamide - CSSB00159323579](/st/structure/200/15ccaba1ced83cb30a52486b86d68570/OC1%253DCC%253DC2C%2528OC3%253DCC%2528O%2529%253DCC%253DC3C22OC%2528%253DO%2529C3%253DCC%2528%253DCC%253DC23%2529C%2528%253DO%2529NCC%2523C%2529%253DC1.png)
![Chemical structure of 2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]-5-[(prop-2-yn-1-yl)carbamoyl]benzoate - CSSB00159250265](/st/structure/200/7eb8387b29771aac8d25f4db5642348d/CN%2528C%2529C1%253DCC%253DC2C%2528OC3%253DCC%2528C%253DCC3%253DC2C2%253DCC%253DC%2528C%253DC2C%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NCC%2523C%2529%253D%255BN%252B%255D%2528C%2529C%2529%253DC1.png)
![Chemical structure of 2-(6-amino-3-imino-4,5-disulfo-3H-xanthen-9-yl)-5-[(prop-2-yn-1-yl)carbamoyl]benzoic acid - CSSB00137314379](/st/structure/200/0ca41d419bcd1a992db87cb839a1bab3/NC1%253DCC%253DC2C%2528OC3%253DC%2528C%2528%253DN%2529C%253DCC3%253DC2C2%253DCC%253DC%2528C%253DC2C%2528O%2529%253DO%2529C%2528%253DO%2529NCC%2523C%2529S%2528O%2529%2528%253DO%2529%253DO%2529%253DC1S%2528O%2529%2528%253DO%2529%253DO.png)
![Chemical structure of bis(triethylazanium) 2-(6-amino-3-iminiumyl-4,5-disulfonato-3H-xanthen-9-yl)-5-[(prop-2-yn-1-yl)carbamoyl]benzoate - CSSB21243167300](/st/structure/200/f50668fdca15c72a6c3bf974d77d33e8/CC%255BNH%252B%255D%2528CC%2529CC.CC%255BNH%252B%255D%2528CC%2529CC.NC1%253DCC%253DC2C%2528OC3%253DC%2528C%2528%253D%255BNH2%252B%255D%2529C%253DCC3%253DC2C2%253DCC%253DC%2528C%253DC2C%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NCC%2523C%2529S%2528%255BO-%255D%2529%2528%253DO%2529%253DO%2529%253DC1S%2528%255BO-%255D%2529%2528%253DO%2529%253DO.png)
![Chemical structure of 16-{2-carboxylato-4-[(prop-2-yn-1-yl)carbamoyl]phenyl}-3-oxa-9λ⁵,23-diazaheptacyclo[17.7.1.1⁵,⁹.0²,¹⁷.0⁴,¹⁵.0²³,²⁷.0¹³,²⁸]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium - CSSB06645150885](/st/structure/200/13140af018e16e997fffd1a9079c753b/%255BO-%255DC%2528%253DO%2529c1cc%2528ccc1C1%253Dc2cc3CCC%255BN%252B%255D4%253Dc3c%2528CCC4%2529c2Oc2c3CCCN4CCCc%2528cc12%2529c34%2529C%2528%253DO%2529NCC%2523C.png)
![Chemical structure of 6-{2-carboxy-4-[(prop-2-yn-1-yl)carbamoyl]phenyl}-2,2,10,10-tetramethyl-4-(sulfomethyl)-8-(sulfonatomethyl)-2,10-dihydro-1H-13-oxa-1,11-diazapentacen-11-ium - CSSB06741709271](/st/structure/200/30b529f402d0ce2f100916d4e2e549d6/CC1%2528C%2529Nc2cc3Oc4cc5%253D%255BNH%252B%255DC%2528C%2529%2528C%2529C%253DC%2528CS%2528%255BO-%255D%2529%2528%253DO%2529%253DO%2529c5cc4%253DC%2528c3cc2C%2528CS%2528O%2529%2528%253DO%2529%253DO%2529%253DC1%2529c1ccc%2528cc1C%2528O%2529%253DO%2529C%2528%253DO%2529NCC%2523C.png)
![Chemical structure of 6-{2-carboxy-4-[(prop-2-yn-1-yl)carbamoyl]phenyl}-1,2,2,10,10,11-hexamethyl-4-(sulfomethyl)-8-(sulfonatomethyl)-2,10-dihydro-1H-13-oxa-1,11-diazapentacen-11-ium - CSSB14813040240](/st/structure/200/b70c9ec14914c056dd2b329a843877b1/CN1c2cc3Oc4cc5%253D%255BN%252B%255D%2528C%2529C%2528C%2529%2528C%2529C%253DC%2528CS%2528%255BO-%255D%2529%2528%253DO%2529%253DO%2529c5cc4%253DC%2528c3cc2C%2528CS%2528O%2529%2528%253DO%2529%253DO%2529%253DCC1%2528C%2529C%2529c1ccc%2528cc1C%2528O%2529%253DO%2529C%2528%253DO%2529NCC%2523C.png)
Similarity Analogs
![Chemical structure of 3-[(prop-2-yn-1-yl)amino]benzoic acid - CSSB00000736181](/st/structure/200/b881806b2d0f1f1a4cb7bf3bb2709654/OC%2528%253DO%2529C1%253DCC%253DCC%2528NCC%2523C%2529%253DC1.png)
