2-[(N-Benzoylglycyl)oxy]-3-phenylpropanoate
Basic information
- CAS
5296-95-7- Standard SMILES
O=C(CNC(=O)c1ccccc1)OC(Cc1ccccc1)C(=O)[O-]- InChIKey
RVHGIEOTQNCGFG-UHFFFAOYSA-M- Molecular formula
- C18H16NO5-
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.10284761
Names & identifiers
- Preferred name
- 2-[(N-Benzoylglycyl)oxy]-3-phenylpropanoate
- IUPAC
- 2-(2-benzamidoacetyl)oxy-3-phenylpropanoate
Names & synonyms
DTXSID9011894722-[(N-Benzoylglycyl)oxy]-3-phenylpropanoateGlycine, N-benzoyl-, 1-carboxy-2-phenylethyl ester, ion(1-)5296-95-7
Database identifiers
- CAS
5296-95-7- PubChem CID
- 78437486
- DTXSID
DTXSID901189472
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- -1
- Complexity
- 433
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Compound notes
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