(2S)-2-amino-3-(2,4-dimethylphenyl)propanoic acid

(2S)-2-amino-3-(2,4-dimethylphenyl)propanoic acid

CAS: 103854-24-6

Formula: C11H15NO2

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

IUPAC: (2S)-2-amino-3-(2,4-dimethylphenyl)propanoic acid

InChI: InChI=1S/C11H15NO2/c1-7-3-4-9(8(2)5-7)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m0/s1

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	193.110278727
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZEWXVRJSLTXWON-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.2
Topological Polar Surface Area	63.32
Polarizability	21.41
Ring Count	1
Rotatable Bond Count	3

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