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

C10H13NO4 — CID 22339835

IUPAC3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(CN)C(=O)O)c1O
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-3-6(9(8)12)7(5-11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)
InChIKeyUXWCWNMVQNIWLX-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.53
Rot. Bonds4

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

3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 22339835) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID22339835
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(CN)C(=O)O)c1O
InChIInChI=1S/C10H13NO4/c1-15-8-4-2-3-6(9(8)12)7(5-11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14)
InChIKeyUXWCWNMVQNIWLX-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3-methoxy-2-methylphenyl)propanoic acid
CID 115005834
2-(2-acetamido-3-methoxyphenyl)-3-aminopropanoic acid
CID 117383613
3-amino-2-[2-hydroxy-3-(methoxymethyl)phenyl]propanoic acid
CID 117323019
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
3-(2-amino-1-carboxyethyl)-4-hydroxy-5-methoxybenzoic acid
CID 117390534
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253
3-amino-2-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117319647
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171243721
2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
3-amino-2-(3-bromo-4-methoxy-2-methylphenyl)propanoic acid
CID 84814181

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid (CID 22339835) is 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid is COc1cccc(C(CN)C(=O)O)c1O.
What is the InChIKey of 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is UXWCWNMVQNIWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-8-4-2-3-6(9(8)12)7(5-11)10(13)14/h2-4,7,12H,5,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid?
3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 22339835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).