1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 133747-57-6

Formula: C12H13NO3

SMILES: CC1=CC=C(C=C1)N1CC(CC1=O)C(O)=O

IUPAC: 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C12H13NO3/c1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LWBXWUBOAVLXAX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.06
Topological Polar Surface Area	57.61
Polarizability	22.31
Ring Count	2
Rotatable Bond Count	2

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