1-(2-methyl-3-sulfanylpropanoyl)-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid

1-(2-methyl-3-sulfanylpropanoyl)-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid

Formula: C15H19NO3S2

SMILES: CC(CS)C(=O)N1CC(CC1C(O)=O)SC1=CC=CC=C1

IUPAC: 1-(2-methyl-3-sulfanylpropanoyl)-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)

Composition: C (55.36%), H (5.88%), N (4.30%), O (14.75%), S (19.70%)

Molar Mass: 325.44

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	325.080635824
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UQWLOWFDKAFKAP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.68
Topological Polar Surface Area	57.61
Polarizability	34.01
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H19NO3S2		Quote Only