Structure Info
- Chemspace ID
- CSMB00034705450 (Enamine MADE)
- CAS
- 269726-85-4
- MFCD
- MFCD11870819
- IUPAC Name
- (3R)-3-amino-4-(4-cyanophenyl)butanoic acid
- Mol formula
- C11H12N2O2
- Mol weight
- 204 Da
- Catalog Number(s)
- A471002250, AG-23885, BBV-78134202, BD629002, CD21009396, CSC034705450, EN300-1692817, FCH3643457, IMED3247592254, LAN-B90637
- 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
- CSMB00034705450
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