7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid

C11H12N2O3 — CID 84685476

IUPAC7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
SMILESCOc1c(C(=O)O)cc(N)c2[nH]cc(C)c12
InChIInChI=1S/C11H12N2O3/c1-5-4-13-9-7(12)3-6(11(14)15)10(16-2)8(5)9/h3-4,13H,12H2,1-2H3,(H,14,15)
InChIKeyLYIZXQUJTURUBA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.77
Rot. Bonds2

About 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid

7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid (PubChem CID 84685476) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
PubChem CID84685476
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
SMILESCOc1c(C(=O)O)cc(N)c2[nH]cc(C)c12
InChIInChI=1S/C11H12N2O3/c1-5-4-13-9-7(12)3-6(11(14)15)10(16-2)8(5)9/h3-4,13H,12H2,1-2H3,(H,14,15)
InChIKeyLYIZXQUJTURUBA-UHFFFAOYSA-N
XLogP1.77
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-3,4-dimethoxybenzoic acid
CID 84680796
3-amino-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 84686649
6-fluoro-7-methoxy-3-methyl-1H-indole-5-carboxamide
CID 178095729
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
6-amino-7-methoxy-2-methyl-1-benzofuran-4-carboxylic acid
CID 84686462
3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84667419
2-(4-amino-6,7-dimethoxy-1H-indol-3-yl)acetic acid
CID 10586748
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 66487941
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
4-amino-5-iodo-2-methoxy-3-methylbenzoic acid
CID 174669723

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid?
The IUPAC name of 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid (CID 84685476) is 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid is COc1c(C(=O)O)cc(N)c2[nH]cc(C)c12.
What is the InChIKey of 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid?
The InChIKey is LYIZXQUJTURUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-5-4-13-9-7(12)3-6(11(14)15)10(16-2)8(5)9/h3-4,13H,12H2,1-2H3,(H,14,15).
What are the key properties of 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid?
7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 84685476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).