2-(2-oxopyrrolidin-1-yl)butanoic acid

2-(2-oxopyrrolidin-1-yl)butanoic acid

CAS: 67118-31-4

Formula: C8H13NO3

SMILES: CCC(N1CCCC1=O)C(O)=O

IUPAC: 2-(2-oxopyrrolidin-1-yl)butanoic acid

InChI: InChI=1/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)

Composition: C (56.13%), H (7.65%), N (8.18%), O (28.04%)

Molar Mass: 171.196

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	171.089543283
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IODGAONBTQRGGG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.26
Topological Polar Surface Area	57.61
Polarizability	16.54
Ring Count	1
Rotatable Bond Count	3

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