2-amino-5-methoxybenzene-1,3-dicarboxylic acid

C9H9NO5 — CID 66762655

IUPAC2-amino-5-methoxybenzene-1,3-dicarboxylic acid
SMILESCOc1cc(C(=O)O)c(N)c(C(=O)O)c1
InChIInChI=1S/C9H9NO5/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyAGCMUJTYJYULPT-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.67
Rot. Bonds3

About 2-amino-5-methoxybenzene-1,3-dicarboxylic acid

2-amino-5-methoxybenzene-1,3-dicarboxylic acid (PubChem CID 66762655) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-amino-5-methoxybenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-5-methoxybenzene-1,3-dicarboxylic acid
PubChem CID66762655
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name2-amino-5-methoxybenzene-1,3-dicarboxylic acid
SMILESCOc1cc(C(=O)O)c(N)c(C(=O)O)c1
InChIInChI=1S/C9H9NO5/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyAGCMUJTYJYULPT-UHFFFAOYSA-N
XLogP0.67
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-methoxybenzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-hydroxy-3-iodo-5-methoxybenzoic acid
CID 100583382
5-methoxy-3-methyl-2-sulfanylbenzoic acid
CID 91874590
2-bromo-5-methoxy-3-methylbenzoic acid
CID 15227362
CID 171375610
CID 171375610
1,3,5-trimethoxybenzene;urea
CID 174919725
2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]-5-methoxybenzoic acid
CID 138584666
3-(hydroxymethyl)-5-methoxy-2-methylbenzoic acid
CID 141349379
5-methoxy-2-methoxycarbonyl-3-methylbenzoic acid
CID 14207577
3-ethyl-2-fluoro-5-methoxybenzoic acid
CID 123425084
2-amino-5-(4-amino-3,5-dicarboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
CID 141253974

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxybenzene-1,3-dicarboxylic acid?
The IUPAC name of 2-amino-5-methoxybenzene-1,3-dicarboxylic acid (CID 66762655) is 2-amino-5-methoxybenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-amino-5-methoxybenzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-amino-5-methoxybenzene-1,3-dicarboxylic acid is COc1cc(C(=O)O)c(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-methoxybenzene-1,3-dicarboxylic acid?
The InChIKey is AGCMUJTYJYULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3H,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-5-methoxybenzene-1,3-dicarboxylic acid?
2-amino-5-methoxybenzene-1,3-dicarboxylic acid has a molecular weight of 211.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxybenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 66762655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).