6-amino-2-hydroxy-3-methoxybenzoic acid

C8H9NO4 — CID 84768914

IUPAC6-amino-2-hydroxy-3-methoxybenzoic acid
SMILESCOc1ccc(N)c(C(=O)O)c1O
InChIInChI=1S/C8H9NO4/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12)
InChIKeyQIBDXSULAUOQKJ-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.68
Rot. Bonds2

About 6-amino-2-hydroxy-3-methoxybenzoic acid

6-amino-2-hydroxy-3-methoxybenzoic acid (PubChem CID 84768914) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 6-amino-2-hydroxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name6-amino-2-hydroxy-3-methoxybenzoic acid
PubChem CID84768914
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name6-amino-2-hydroxy-3-methoxybenzoic acid
SMILESCOc1ccc(N)c(C(=O)O)c1O
InChIInChI=1S/C8H9NO4/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12)
InChIKeyQIBDXSULAUOQKJ-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'}

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Related Compounds

6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
CID 84782545
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384
3-amino-2-chloro-6-methoxyphenol
CID 45120120
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
2-amino-3-bromo-6-methoxybenzoic acid
CID 62378772
2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
CID 117285154
2-(2,6-diamino-3-methoxyphenyl)acetic acid
CID 171010490
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-hydroxy-3-methoxybenzoic acid?
The IUPAC name of 6-amino-2-hydroxy-3-methoxybenzoic acid (CID 84768914) is 6-amino-2-hydroxy-3-methoxybenzoic acid.
What is the SMILES notation for 6-amino-2-hydroxy-3-methoxybenzoic acid?
The canonical SMILES for 6-amino-2-hydroxy-3-methoxybenzoic acid is COc1ccc(N)c(C(=O)O)c1O.
What is the InChIKey of 6-amino-2-hydroxy-3-methoxybenzoic acid?
The InChIKey is QIBDXSULAUOQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,10H,9H2,1H3,(H,11,12).
What are the key properties of 6-amino-2-hydroxy-3-methoxybenzoic acid?
6-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 6-amino-2-hydroxy-3-methoxybenzoic acid is sourced from PubChem (CID 84768914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).