2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid

C10H13NO4 — CID 117301143

IUPAC2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
SMILESCOc1c(O)cccc1CC(N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-9-6(3-2-4-8(9)12)5-7(11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)
InChIKeyFKWXMYBMJMEIGZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.36
Rot. Bonds4

About 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid

2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid (PubChem CID 117301143) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
PubChem CID117301143
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
SMILESCOc1c(O)cccc1CC(N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-9-6(3-2-4-8(9)12)5-7(11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)
InChIKeyFKWXMYBMJMEIGZ-UHFFFAOYSA-N
XLogP0.36
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2-amino-3-[2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117411854
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
3-(2-acetyloxy-3-methoxyphenyl)-2-aminopropanoic acid
CID 170879571
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
(2S)-2-amino-3-[3-methoxy-2-(2-phenylethoxy)phenyl]propanoic acid
CID 54555113
2-amino-3-(2,3-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 174776848
methyl 2-amino-3-(3-fluoro-2-methoxyphenyl)propanoate
CID 167713395
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid (CID 117301143) is 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid is COc1c(O)cccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid?
The InChIKey is FKWXMYBMJMEIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-9-6(3-2-4-8(9)12)5-7(11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid?
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117301143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).