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Basic Information
CAS No.: 102849-49-0
Name: (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 102849-49-0 ((2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid)
Formula: C8H13NO3
Molecular Weight: 171.196
Synonyms: UCB-L 057;1-Pyrrolidineaceticacid, a-ethyl-2-oxo-, (S)-;2-Pyrrolidinone-n-butyric acid;
Density: 1.227 g/cm3
Melting Point: 118-121°C
Boiling Point: 370.975 °C at 760 mmHg
Flash Point: 178.16 °C
PSA: 57.61000
LogP: 0.40990
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Chemistry

Systematic Name: (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
Synonyms of (2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid (CAS NO.102849-49-0): (S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid
CAS NO: 102849-49-0
Molecular Formula: C8H13NO3
Molecular Weight: 171.20
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 57.61 Å2
Index of Refraction: 1.517
Molar Refractivity: 42.206 cm3
Molar Volume: 139.519 cm3
Surface Tension: 50.798 dyne/cm
Density: 1.227 g/cm3
Flash Point: 178.16 °C
Enthalpy of Vaporization: 67.861 kJ/mol
Boiling Point: 370.975 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: O=C1N([C@H](C(=O)O)CC)CCC1
InChI: InChI=1/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey: IODGAONBTQRGGG-LURJTMIEBF
Std. InChI: InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
Std. InChIKey: IODGAONBTQRGGG-LURJTMIESA-N