Structure Info
- Chemspace ID
- CSMB00030709545 (Enamine MADE)
- CAS
- 270065-88-8
- MFCD
- MFCD11870820, MFCD35095237, MFCD01861078
- IUPAC Name
- (3S)-3-amino-4-(4-cyanophenyl)butanoic acid
- Mol formula
- C11H12N2O2
- Mol weight
- 204 Da
- Catalog Number(s)
- A471003949, AA00BDS4, AF30976, AG-23888, BBV-77800898, BD629001, CD21009326, CS-0333402, CSC030709545, EN300-1692818, FCH3553200, HY-W288424, IMED3247592253, LAN-B90398
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.24
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 87
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00030709545
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