Basic information
- CAS
54080-03-4- Standard SMILES
NC(=O)N1CCC[C@@H]1C(=O)O- InChIKey
RTNFBJXLYMERBB-SCSAIBSYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- D-Proline, 1-(aminocarbonyl)-(9CI)
- IUPAC
- (2R)-1-carbamoylpyrrolidine-2-carboxylic acid
- English name
- D-Proline, 1-(aminocarbonyl)- (9CI)
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
54080-03-4(R)-1-Carbamoylpyrrolidine-2-carboxylic acidD-Proline, 1-(aminocarbonyl)- (9CI)D-Proline, 1-(aminocarbonyl)-(9CI)1-Carbamoyl-D-proline(2R)-1-carbamoylpyrrolidine-2-carboxylic acidSCHEMBL1442233D-Proline, 1-(aminocarbonyl)-DTXSID60357547AKOS017336046DB-326249(R)-1-Carbamoylpyrrolidine-2-carboxylicacid
Show more names
1-(aMinocarbonyl)-D-Proline
Database identifiers
- CAS
54080-03-4- PubChem CID
- 854072
- DTXSID
DTXSID60357547
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 365.9 · 365.9±52.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.20(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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