ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate hydrochloride

ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate hydrochloride

CAS: 1397000-76-8

Formula: C9H19ClN2O3S

SMILES: Cl.CCOC(=O)C(CCSC)NC(=O)CN

IUPAC: ethyl 2-(2-aminoacetamido)-4-(methylsulfanyl)butanoate hydrochloride

InChI: InChI=1/C9H18N2O3S.ClH/c1-3-14-9(13)7(4-5-15-2)11-8(12)6-10;/h7H,3-6,10H2,1-2H3,(H,11,12);1H

Composition: C (39.92%), H (7.07%), Cl (13.09%), N (10.35%), O (17.73%), S (11.84%)

Molar Mass: 270.77

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	270.0804914
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BTQACRHQEKQTNA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.91
Topological Polar Surface Area	81.42
Polarizability	23.91
Ring Count	0
Rotatable Bond Count	8

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