methyl (2S)-2-amino-4-phenylbutanoate hydrochloride

methyl (2S)-2-amino-4-phenylbutanoate hydrochloride

CAS: 60425-49-2

Formula: C11H16ClNO2

SMILES: Cl.COC(=O)[C@@H](N)CCC1=CC=CC=C1

IUPAC: methyl (2S)-2-amino-4-phenylbutanoate hydrochloride

InChI: InChI=1S/C11H15NO2.ClH/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1

Composition: C (57.52%), H (7.02%), Cl (15.43%), N (6.10%), O (13.93%)

Molar Mass: 229.7

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	229.0869565
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PZKOPSSMUBBHMM-PPHPATTJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.49
Topological Polar Surface Area	52.32
Polarizability	21.83
Ring Count	1
Rotatable Bond Count	5

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