Benzoic acid, 4-[(carboxymethyl)amino]-, 1-ethyl ester
Basic information
- CAS
59081-60-6- Standard SMILES
CCOC(=O)c1ccc(NCC(=O)O)cc1- InChIKey
RPGTVRFDGOBBDR-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Benzoic acid, 4-[(carboxymethyl)amino]-, 1-ethyl ester
- IUPAC
- 2-(4-ethoxycarbonylanilino)acetic acid
Names & synonyms
59081-60-6N-[4-(Ethoxycarbonyl)phenyl]glycineBenzoic acid, 4-[(carboxymethyl)amino]-, 1-ethyl esterDTXSID70438578(4-(Ethoxycarbonyl)phenyl)glycine
Database identifiers
- CAS
59081-60-6- PubChem CID
- 10353545
- DTXSID
DTXSID70438578- Nikkaji
- J785.741A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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