Structure Info
- Chemspace ID
- CSMB00041874177 (Enamine MADE)
- CAS
- 298693-79-5
- MFCD
- MFCD27578909
- IUPAC Name
- methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-cyanophenyl)propanoate
- Mol formula
- C16H20N2O4
- Mol weight
- 304 Da
- Catalog Number(s)
- A019136301, A232085, BBV-77956690, BD582640, CSC041874177, EN300-7411116, FCH3588603, LN03235762, M180735, Y4038927, Z3244921089, s_1458____20989634____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.57
- Heavy atoms count
- 22
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.437
- Polar surface area (Å)
- 88
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00041874177
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