2-[(1,1-dioxo-1??-thiolan-3-yl)amino]-3-(4-hydroxyphenyl)propanoic acid

2-[(1,1-dioxo-1??-thiolan-3-yl)amino]-3-(4-hydroxyphenyl)propanoic acid

Formula: C13H17NO5S

SMILES: OC(=O)C(CC1=CC=C(O)C=C1)NC1CCS(=O)(=O)C1

IUPAC: 2-[(1,1-dioxo-1??-thiolan-3-yl)amino]-3-(4-hydroxyphenyl)propanoic acid

InChI: InChI=1/C13H17NO5S/c15-11-3-1-9(2-4-11)7-12(13(16)17)14-10-5-6-20(18,19)8-10/h1-4,10,12,14-15H,5-8H2,(H,16,17)

Composition: C (52.16%), H (5.72%), N (4.68%), O (26.72%), S (10.71%)

Molar Mass: 299.34

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	299.082743825
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	NRTCSAGSLQALNJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.42
Topological Polar Surface Area	103.7
Polarizability	29.39
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H17NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00