4-[(2-Phenylacetyl)amino]butanoic acid
Basic information
- CAS
2937-01-1- Standard SMILES
O=C(O)CCCNC(=O)Cc1ccccc1- InChIKey
NIDZZEUGNIZNMR-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 4-[(2-Phenylacetyl)amino]butanoic acid
- IUPAC
- 4-[(2-phenylacetyl)amino]butanoic acid
Names & synonyms
4-(2-phenylacetamido)butanoic acid2937-01-14-[(2-phenylacetyl)amino]butanoic acid4-[(phenylacetyl)amino]butanoic acidNSC348923MLS000779245SCHEMBL26770304-Phenylacetylamino-butyric acidCHEMBL1329049DTXSID00319644HMS2752H16STK026756
Show more names
4-(2-phenylacetylamino)butanoic acidAKOS000162384NSC-348923SMR000415938ST040511DB-218600CS-0328103EU-0078331
Database identifiers
- CAS
2937-01-1- PubChem CID
- 336005
- DTXSID
DTXSID00319644- ChEMBL
CHEMBL1329049
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility>33.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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