3-amino-3-(4-hydroxy-3-methylphenyl)propanoic acid

3-amino-3-(4-hydroxy-3-methylphenyl)propanoic acid

CAS: 682804-14-4

Formula: C10H13NO3

SMILES: CC1=C(O)C=CC(=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-(4-hydroxy-3-methylphenyl)propanoic acid

InChI: InChI=1/C10H13NO3/c1-6-4-7(2-3-9(6)12)8(11)5-10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)

Composition: C (61.53%), H (6.71%), N (7.18%), O (24.59%)

Molar Mass: 195.218

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	195.089543283
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	UAPHQFVXGGGEPE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.01
Topological Polar Surface Area	83.55
Polarizability	20.27
Ring Count	1
Rotatable Bond Count	3

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