(3S)-3-amino-5-methylhexanoic acid hydrochloride

(3S)-3-amino-5-methylhexanoic acid hydrochloride

CAS: 96386-92-4

Formula: C7H16ClNO2

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

IUPAC: (3S)-3-amino-5-methylhexanoic acid hydrochloride

InChI: InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1

Composition: C (46.28%), H (8.88%), Cl (19.51%), N (7.71%), O (17.61%)

Molar Mass: 181.66

Atom Count: 27

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	181.0869565
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NXVYPYHWONGEFQ-RGMNGODLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.8
Topological Polar Surface Area	63.32
Polarizability	15.67
Ring Count	0
Rotatable Bond Count	4

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