Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-
Basic information
- CAS
137346-52-2- Standard SMILES
COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1- InChIKey
JMKUVOYNYHBNBE-SFHVURJKSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-
- IUPAC
- methyl 2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]benzoate
Names & synonyms
DTXSID901124640Benzoic acid, 2-[[[1-(phenylmethyl)-2-pyrrolidinyl]carbonyl]amino]-, methyl ester, (S)-137346-52-2Methyl 2-[(1-benzyl-L-prolyl)amino]benzoate
Database identifiers
- CAS
137346-52-2- PubChem CID
- 14844487
- DTXSID
DTXSID901124640
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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