(S)-Methyl 1-((methoxycarbonyl)amino)pyrrolidine-2-carboxylate
Basic information
- CAS
134920-22-2- Standard SMILES
COC(=O)NN1CCC[C@H]1C(=O)OC- InChIKey
ODTLXYWMGNTLHU-LURJTMIESA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 1-((methoxycarbonyl)amino)pyrrolidine-2-carboxylate
- IUPAC
- methyl (2S)-1-(methoxycarbonylamino)pyrrolidine-2-carboxylate
- English name
- L-Proline, 1-[(methoxycarbonyl)amino]-, methyl ester (9CI)
- Molecular formula
- C8H14N2O4
- Molecular weight
- 202.21
Names & synonyms
134920-22-2(S)-Methyl 1-((methoxycarbonyl)amino)pyrrolidine-2-carboxylateL-Proline, 1-[(methoxycarbonyl)amino]-, methyl ester (9CI)
Database identifiers
- CAS
134920-22-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.40(Predicted)
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Compound notes
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