1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)- supplier

Name
（s）-L-benzyl 2-methyl 4-oxopyrrolidine-1，2-dicarboxyl
EINECS
CAS No. 16217-15-5
Article Data22
CAS DataBase
Density 1.307g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅NO₅
Boiling Point 422.051 °C at 760 mmHg
Molecular Weight 277.277
Flash Point 209.049 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-benzyl methyl ester, L- (8CI);1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (S)-;(S)-1-Benzyloxycarbonyl-4-oxoproline methyl ester;
PSA 72.91000
LogP 1.07750

1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)- Specification

The 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)-, with CAS registry number 16217-15-5, has the systematic name of 1-benzyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate. And the chemical formula of this chemical is C₁₄H₁₅NO₅.

Physical properties of 1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)-: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 72.91 Å²; (7)Index of Refraction: 1.559; (8)Molar Refractivity: 68.532 cm³; (9)Molar Volume: 212.202 cm³; (10)Polarizability: 27.168×10^-24cm³; (11)Surface Tension: 53.97 dyne/cm; (12)Density: 1.307 g/cm³; (13)Flash Point: 209.049 °C; (14)Enthalpy of Vaporization: 67.616 kJ/mol; (15)Boiling Point: 422.051 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H]2N(C(=O)OCc1ccccc1)CC(=O)C2
(2)InChI: InChI=1/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
(3)InChIKey: XRFKZAWVKVORNI-LBPRGKRZBU
(4)Std. InChI: InChI=1S/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
(5)Std. InChIKey: XRFKZAWVKVORNI-LBPRGKRZSA-N

Product Name

（s）-L-benzyl 2-methyl 4-oxopyrrolidine-1，2-dicarboxyl

1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 2-methyl 1-(phenylmethyl) ester, (2S)- Specification

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