Basic information
- Name:
N-Carbobenzoxy-4-oxo-L-proline
- CAS No.:
64187-47-9
- Molecular Structure:
- Formula:
- C13H13NO5
- Molecular Weight:
- 263.246
- Synonyms:
- 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(phenylmethyl) ester, (S)-;1-(Benzyloxycarbonyl)-4-keto-(S)-proline;
- Density:
- 1.409 g/cm3
- Boiling Point:
- 488.455 °C at 760 mmHg
- Flash Point:
- 249.209 °C
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Specification
The N-Carbobenzoxy-4-oxo-L-proline, with the CAS registry number 64187-47-9, is also known as 1-[(Benzyloxy)carbonyl]-4-oxo-L-proline. This chemical's molecular formula is C13H13NO5 and molecular weight is 263.246. What's more, its IUPAC name is (2S)-4-Oxo-1-[benzyloxycarbonyl]pyrrolidine-2-carboxylic acid.
Physical properties about N-Carbobenzoxy-4-oxo-L-proline are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 83.91 Å2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 63.689 cm3; (13)Molar Volume: 186.839 cm3; (14)Polarizability: 25.248×10-24 cm3; (15)Surface Tension: 65.615 dyne/cm; (16)Density: 1.409 g/cm3; (17)Flash Point: 249.209 °C; (18)Enthalpy of Vaporization: 79.474 kJ/mol; (19)Boiling Point: 488.455 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]2N(C(=O)OCc1ccccc1)CC(=O)C2
(2) InChI: InChI=1/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
(3) InChIKey: RPLLCMZOIFOBIF-NSHDSACABF