2-Carboxymethoxymethyl-pyrrolidine-1-carboxylic acid benzyl ester
Basic information
- CAS
1353953-71-5- Standard SMILES
O=C(O)COCC1CCCN1C(=O)OCc1ccccc1- InChIKey
NMKWJDZNWOYIIT-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- 2-Carboxymethoxymethyl-pyrrolidine-1-carboxylic acid benzyl ester
- IUPAC
- 2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acid
- English name
- 2-CarboxyMethoxyMethyl-pyrrolidine-1-carboxylic acid benzyl ester
- Molecular formula
- C15H19NO5
- Molecular weight
- 293.32
Names & synonyms
1353953-71-52-Carboxymethoxymethyl-pyrrolidine-1-carboxylic acid benzyl ester2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methoxy]acetic acidCHEMBL367975SCHEMBL10899658DTXSID201132775DB-2514222-[(1-benzyloxycarbonylpyrrolidin-2-yl)methoxy]acetic acid({1-[(BENZYLOXY)CARBONYL]PYRROLIDIN-2-YL}METHOXY)ACETIC ACID1-Pyrrolidinecarboxylic acid, 2-[(carboxymethoxy)methyl]-, 1-(phenylmethyl) ester2-(1-((Benzyloxy)carbonyl)pyrrolidin-2-yl)-2-methoxyacetic acid
Database identifiers
- CAS
1353953-71-5- PubChem CID
- 23316617
- DTXSID
DTXSID201132775- ChEMBL
CHEMBL367975
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 486.7 · 486.7±25.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.10(Predicted)
Related reactions
1 records
Compound notes
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