trans-Benzyl (4-methylpyrrolidin-3-YL)carbamate hydrochloride
Basic information
- CAS
1951441-28-3- Standard SMILES
C[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1- InChIKey
ORIALMRPKUNXMM-ZYHUDNBSSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- trans-Benzyl (4-methylpyrrolidin-3-YL)carbamate hydrochloride
- IUPAC
- benzyl N-[(3S,4R)-4-methylpyrrolidin-3-yl]carbamate
Names & synonyms
1951441-28-3benzyl N-[(3S,4R)-4-methylpyrrolidin-3-yl]carbamateTRANS-BENZYL (4-METHYLPYRROLIDIN-3-YL)CARBAMATE HYDROCHLORIDECarbamic acid, N-[(3R,4S)-4-methyl-3-pyrrolidinyl]-, phenylmethyl ester, rel-DTXSID801140273Benzyl [(3S,4R)-4-methylpyrrolidin-3-yl]carbamate
Database identifiers
- CAS
1951441-28-3- PubChem CID
- 96068271
- DTXSID
DTXSID801140273
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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