5-amino-2-hydroxy-3-methoxybenzoic acid

C8H9NO4 — CID 50883012

IUPAC5-amino-2-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(N)cc(C(=O)O)c1O
InChIInChI=1S/C8H9NO4/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12)
InChIKeyIDXSIMKQZAIQGX-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.68
Rot. Bonds2

About 5-amino-2-hydroxy-3-methoxybenzoic acid

5-amino-2-hydroxy-3-methoxybenzoic acid (PubChem CID 50883012) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-amino-2-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name5-amino-2-hydroxy-3-methoxybenzoic acid
PubChem CID50883012
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-amino-2-hydroxy-3-methoxybenzoic acid
SMILESCOc1cc(N)cc(C(=O)O)c1O
InChIInChI=1S/C8H9NO4/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12)
InChIKeyIDXSIMKQZAIQGX-UHFFFAOYSA-N
XLogP0.68
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-hydroxy-3-methoxybenzoate;propane
CID 169174711
2-hydroxy-3-methoxy-5-sulfobenzoic acid
CID 139951526
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506
4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
CID 117285992
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
5-amino-2-hydroxy-3-methoxybenzaldehyde
CID 155701195
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-3-methoxybenzoic acid?
The IUPAC name of 5-amino-2-hydroxy-3-methoxybenzoic acid (CID 50883012) is 5-amino-2-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 5-amino-2-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for 5-amino-2-hydroxy-3-methoxybenzoic acid is COc1cc(N)cc(C(=O)O)c1O.
What is the InChIKey of 5-amino-2-hydroxy-3-methoxybenzoic acid?
The InChIKey is IDXSIMKQZAIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-6-3-4(9)2-5(7(6)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12).
What are the key properties of 5-amino-2-hydroxy-3-methoxybenzoic acid?
5-amino-2-hydroxy-3-methoxybenzoic acid has a molecular weight of 183.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 50883012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).