3-amino-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid

3-amino-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid

CAS: 682804-24-6

Formula: C11H15NO5

SMILES: COC1=CC(=CC(OC)=C1O)C(N)CC(O)=O

IUPAC: 3-amino-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid

InChI: InChI=1/C11H15NO5/c1-16-8-3-6(7(12)5-10(13)14)4-9(17-2)11(8)15/h3-4,7,15H,5,12H2,1-2H3,(H,13,14)

Composition: C (54.77%), H (6.27%), N (5.81%), O (33.16%)

Molar Mass: 241.243

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	241.095022587
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	CHPMRZTZGCRTEI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.89
Topological Polar Surface Area	102.01
Polarizability	23.61
Ring Count	1
Rotatable Bond Count	5

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