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tert-butyl (2S)-2-amino-3-phenylpropanoate hydrochloride

tert-butyl (2S)-2-amino-3-phenylpropanoate hydrochloride

CAS: 15100-75-1

Formula: C13H20ClNO2

SMILES: Cl.CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1

IUPAC: tert-butyl (2S)-2-amino-3-phenylpropanoate hydrochloride

InChI: InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m0./s1

Composition: C (60.58%), H (7.82%), Cl (13.75%), N (5.43%), O (12.41%)

Molar Mass: 257.76

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 257.1182566
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FDMCEXDXULPJPG-MERQFXBCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.69
Topological Polar Surface Area 52.32
Polarizability 25.51
Ring Count 1
Rotatable Bond Count 5

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