Name: Name:Pentanoic acid, 3-amino-4-methyl-, methyl ester, hydrochloride, (3S)-
Brand: Angene
SKU: AG00IBRS
Rating: 90 (10 reviews)

Pentanoic acid, 3-amino-4-methyl-, methyl ester, hydrochloride, (3S)-

CAS No.:

679789-35-6

Catalog Number:

AG00IBRS

Molecular Formula:

C7H16ClNO2

Molecular Weight:

181.6604

Catalog Number:

AG00IBRS

Chemical Name:

Pentanoic acid, 3-amino-4-methyl-, methyl ester, hydrochloride, (3S)-

CAS Number:

679789-35-6

Molecular Formula:

C7H16ClNO2

Molecular Weight:

181.6604

MDL Number:

MFCD12068618

IUPAC Name:

methyl (3S)-3-amino-4-methylpentanoate;hydrochloride

InChI:

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

InChI Key:

PPXNDBYZDBBPCL-RGMNGODLSA-N

SMILES:

COC(=O)C[C@@H](C(C)C)N.Cl

Complexity:

112

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.66g/mol

Monoisotopic Mass:

181.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: