(3S)-3-amino-5-(methylsulfanyl)pentanoic acid

(3S)-3-amino-5-(methylsulfanyl)pentanoic acid

CAS: 1217975-36-4

Formula: C6H13NO2S

SMILES: CSCC[C@@H](N)CC(O)=O

IUPAC: (3S)-3-amino-5-(methylsulfanyl)pentanoic acid

InChI: InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1

Composition: C (44.15%), H (8.03%), N (8.58%), O (19.60%), S (19.64%)

Molar Mass: 163.24

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	163.066699837
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QWVNCDVONVDGDV-RXMQYKEDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.21
Topological Polar Surface Area	63.32
Polarizability	16.9
Ring Count	0
Rotatable Bond Count	5

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