6-amino-2-hydroxy-3,4-dimethoxybenzoic acid

C9H11NO5 — CID 84782545

IUPAC6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
SMILESCOc1cc(N)c(C(=O)O)c(O)c1OC
InChIInChI=1S/C9H11NO5/c1-14-5-3-4(10)6(9(12)13)7(11)8(5)15-2/h3,11H,10H2,1-2H3,(H,12,13)
InChIKeyAXUYCYDHADWHAK-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.69
Rot. Bonds3

About 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid

6-amino-2-hydroxy-3,4-dimethoxybenzoic acid (PubChem CID 84782545) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
PubChem CID84782545
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name6-amino-2-hydroxy-3,4-dimethoxybenzoic acid
SMILESCOc1cc(N)c(C(=O)O)c(O)c1OC
InChIInChI=1S/C9H11NO5/c1-14-5-3-4(10)6(9(12)13)7(11)8(5)15-2/h3,11H,10H2,1-2H3,(H,12,13)
InChIKeyAXUYCYDHADWHAK-UHFFFAOYSA-N
XLogP0.69
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
3-amino-2-ethyl-4,5-dimethoxybenzoic acid
CID 84689670
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
methyl 6-amino-3,4-dimethoxy-2-propan-2-yloxybenzoate
CID 18470661
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
2-(4-amino-6,7-dimethoxy-1H-indol-3-yl)acetic acid
CID 10586748

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid?
The IUPAC name of 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid (CID 84782545) is 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid.
What is the SMILES notation for 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid?
The canonical SMILES for 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid is COc1cc(N)c(C(=O)O)c(O)c1OC.
What is the InChIKey of 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid?
The InChIKey is AXUYCYDHADWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-14-5-3-4(10)6(9(12)13)7(11)8(5)15-2/h3,11H,10H2,1-2H3,(H,12,13).
What are the key properties of 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid?
6-amino-2-hydroxy-3,4-dimethoxybenzoic acid has a molecular weight of 213.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-hydroxy-3,4-dimethoxybenzoic acid is sourced from PubChem (CID 84782545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).