4-{[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl}butanoic acid

4-{[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl}butanoic acid

CAS: 900080-57-1

Formula: C16H20N2O4

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

IUPAC: 4-{[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl}butanoic acid

InChI: InChI=1S/C16H20N2O4/c19-14(4-3-5-15(20)21)17-13-8-6-12(7-9-13)16(22)18-10-1-2-11-18/h6-9H,1-5,10-11H2,(H,17,19)(H,20,21)

Composition: C (63.14%), H (6.62%), N (9.20%), O (21.03%)

Molar Mass: 304.346

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.142307132
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CKSNUEHIEKMYDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.83
Topological Polar Surface Area	86.71
Polarizability	30.77
Ring Count	2
Rotatable Bond Count	6

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	900080-57-1		$212.83-$327.27$212.83$327.27