4-amino-1-methylindole-2-carboxylic acid

C10H10N2O2 — CID 84771435

IUPAC4-amino-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(N)cccc21
InChIInChI=1S/C10H10N2O2/c1-12-8-4-2-3-7(11)6(8)5-9(12)10(13)14/h2-5H,11H2,1H3,(H,13,14)
InChIKeyKXHNVENZEROKRY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.46
Rot. Bonds1

About 4-amino-1-methylindole-2-carboxylic acid

4-amino-1-methylindole-2-carboxylic acid (PubChem CID 84771435) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-amino-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methylindole-2-carboxylic acid
PubChem CID84771435
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-amino-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(N)cccc21
InChIInChI=1S/C10H10N2O2/c1-12-8-4-2-3-7(11)6(8)5-9(12)10(13)14/h2-5H,11H2,1H3,(H,13,14)
InChIKeyKXHNVENZEROKRY-UHFFFAOYSA-N
XLogP1.46
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfonylmethyl)-1-methylindol-4-amine
CID 117173185
1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid
CID 70797894
6-carbamoyl-1-methylindole-2-carboxylic acid
CID 66656113
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
CID 117173126
5-hydroxy-1,4-dimethylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 115007397
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
5-chloro-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carboxylic acid
CID 115007678
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylindole-2-carboxylic acid?
The IUPAC name of 4-amino-1-methylindole-2-carboxylic acid (CID 84771435) is 4-amino-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-methylindole-2-carboxylic acid?
The canonical SMILES for 4-amino-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2c(N)cccc21.
What is the InChIKey of 4-amino-1-methylindole-2-carboxylic acid?
The InChIKey is KXHNVENZEROKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-8-4-2-3-7(11)6(8)5-9(12)10(13)14/h2-5H,11H2,1H3,(H,13,14).
What are the key properties of 4-amino-1-methylindole-2-carboxylic acid?
4-amino-1-methylindole-2-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 84771435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).