2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid

C15H15N3O2 — CID 115146320

IUPAC2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid
SMILESCN(Cc1ccc[nH]1)c1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C15H15N3O2/c1-18(9-10-5-4-8-16-10)14-13(15(19)20)11-6-2-3-7-12(11)17-14/h2-8,16-17H,9H2,1H3,(H,19,20)
InChIKeyXLWWTHRUGNBQRP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.83
Rot. Bonds4

About 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid

2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid (PubChem CID 115146320) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid
PubChem CID115146320
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid
SMILESCN(Cc1ccc[nH]1)c1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C15H15N3O2/c1-18(9-10-5-4-8-16-10)14-13(15(19)20)11-6-2-3-7-12(11)17-14/h2-8,16-17H,9H2,1H3,(H,19,20)
InChIKeyXLWWTHRUGNBQRP-UHFFFAOYSA-N
XLogP2.83
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[ethyl(methyl)amino]-1H-indol-3-yl]ethanone
CID 115146258
2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146312
2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146311
1-[2-[methyl(propyl)amino]-1H-indol-3-yl]ethanone
CID 115146259
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
1-[2-[methyl(3-methylbutyl)amino]-1H-indol-3-yl]ethanone
CID 115146277
2-(2-aminoethyl)-1H-indole-3-carboxylic acid
CID 105456001
2-(sulfanylmethyl)-1H-indole-3-carboxylic acid
CID 158535283
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
3-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]oxetane-3-carboxylic acid
CID 115185011
4-[methyl(1H-pyrrol-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149104
2,2-dimethyl-4-[methyl(1H-pyrrol-2-ylmethyl)amino]-4-oxobutanoic acid
CID 115165275

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid?
The IUPAC name of 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid (CID 115146320) is 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid is CN(Cc1ccc[nH]1)c1[nH]c2ccccc2c1C(=O)O.
What is the InChIKey of 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid?
The InChIKey is XLWWTHRUGNBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(9-10-5-4-8-16-10)14-13(15(19)20)11-6-2-3-7-12(11)17-14/h2-8,16-17H,9H2,1H3,(H,19,20).
What are the key properties of 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid?
2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrrol-2-ylmethyl)amino]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 115146320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).