Benzyl 2-carbamoylpyrrolidine-1-carboxylate

HCID 3282322CAS 93188-01-3

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Basic information

Standard SMILES: NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIKey: ZCGHEBMEQXMRQL-UHFFFAOYSA-N
Molecular formula: C13H16N2O3
Average molar mass: 248.28 g/mol
Monoisotopic mass: 248.11609237

Names & identifiers

Preferred name: Benzyl 2-carbamoylpyrrolidine-1-carboxylate
IUPAC: benzyl 2-carbamoylpyrrolidine-1-carboxylate
English name: Benzyl 2-carbamoylpyrrolidine-1-carboxylate
Molecular formula: C13H16N2O3
Molecular weight: 248.28

Names & synonyms

benzyl 2-carbamoylpyrrolidine-1-carboxylate93188-01-3MFCD041153361-Cbz-pyrrolidine-2-carboxamideCbz-DL-prolinamideZ-D-Pro-NHcbz-l-prolinamideBenzyl2-Carbamoylpyrrolidine-1-Carboxylate(R)-2-Carbamoyl-1-Cbz-pyrrolidinecbz-pro-nh2Z-D-proline amideSCHEMBL475629

Show more names

N-Cbz-DL-Prolinamide1-Pyrrolidinecarboxylic acid, 2-(aminocarbonyl)-, phenylmethyl ester

SCHEMBL10773451DTXSID30391014ZCGHEBMEQXMRQL-UHFFFAOYSA-NAB3070AKOS015901281AB01292BENZYLOXYCARBONYL-L-PROLINE AMIDEAC-28281

Database identifiers

CAS: 93188-01-3
PubChem CID: 3282322
DTXSID: DTXSID30391014
Nikkaji: J1.573.828F

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 313

Physicochemical properties

Boiling point: 465.6 · 465.6±44.0 °C(Predicted)
Density: 1.263 · 1.263
storage temp.: 2 · 2-8°C
pka: 15.95 · 15.95±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501