3-{[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl}propanoic acid

3-{[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl}propanoic acid

CAS: 1003683-04-2

Formula: C15H18N2O4

SMILES: OC(=O)CCC(=O)NC1=CC(=CC=C1)C(=O)N1CCCC1

IUPAC: 3-{[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C15H18N2O4/c18-13(6-7-14(19)20)16-12-5-3-4-11(10-12)15(21)17-8-1-2-9-17/h3-5,10H,1-2,6-9H2,(H,16,18)(H,19,20)

Composition: C (62.06%), H (6.25%), N (9.65%), O (22.04%)

Molar Mass: 290.319

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.126657068
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IHKPYRWTCJENLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.23
Topological Polar Surface Area	86.71
Polarizability	28.94
Ring Count	2
Rotatable Bond Count	5

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