2-{[3-(4-methoxyphenyl)-3-oxopropyl]amino}-4-(methylsulfanyl)butanoic acid

2-{[3-(4-methoxyphenyl)-3-oxopropyl]amino}-4-(methylsulfanyl)butanoic acid

Formula: C15H21NO4S

SMILES: COC1=CC=C(C=C1)C(=O)CCNC(CCSC)C(O)=O

IUPAC: 2-{[3-(4-methoxyphenyl)-3-oxopropyl]amino}-4-(methylsulfanyl)butanoic acid

InChI: InChI=1/C15H21NO4S/c1-20-12-5-3-11(4-6-12)14(17)7-9-16-13(15(18)19)8-10-21-2/h3-6,13,16H,7-10H2,1-2H3,(H,18,19)

Composition: C (57.86%), H (6.80%), N (4.50%), O (20.55%), S (10.30%)

Molar Mass: 311.4

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	311.119129334
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	CSUZLVGOKVSCKH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.42
Topological Polar Surface Area	75.63
Polarizability	32.74
Ring Count	1
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H21NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00