1-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

CAS: 824981-40-0

Formula: C14H17NO3

SMILES: CCC1=CC=C(CN2CC(CC2=O)C(O)=O)C=C1

IUPAC: 1-[(4-ethylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C14H17NO3/c1-2-10-3-5-11(6-4-10)8-15-9-12(14(17)18)7-13(15)16/h3-6,12H,2,7-9H2,1H3,(H,17,18)

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	247.120843411
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YLEUWWPOJSSBGF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.5
Topological Polar Surface Area	57.61
Polarizability	25.98
Ring Count	2
Rotatable Bond Count	4

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