2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid

C18H22N2O3 — CID 23510298

IUPAC2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCn1c(C(=O)NC2CCCCCC2C(=O)O)cc2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-15-10-6-5-7-12(15)11-16(20)17(21)19-14-9-4-2-3-8-13(14)18(22)23/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,19,21)(H,22,23)
InChIKeyVSKPPEANLZKWFS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.94
Rot. Bonds3

About 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid

2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 23510298) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID23510298
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCn1c(C(=O)NC2CCCCCC2C(=O)O)cc2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-15-10-6-5-7-12(15)11-16(20)17(21)19-14-9-4-2-3-8-13(14)18(22)23/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,19,21)(H,22,23)
InChIKeyVSKPPEANLZKWFS-UHFFFAOYSA-N
XLogP2.94
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic 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

N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
CID 58808394
N-[(1S,2R)-2-[2-(benzenesulfonamido)ethylcarbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808296
N-[2-[(1-cyano-2-phenylethyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 23510236
N-[(1S,2R)-2-[(1-benzylpyrrolidin-3-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 58808291
1-methyl-N-[(1S,2R)-2-[[(2S)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 58808286
1-methyl-N-[(1S,2R)-2-[[(3S)-5-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]carbamoyl]cyclohexyl]indole-2-carboxamide
CID 70320702
N-[(1S,2R)-2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide;1-methyl-N-[(1S,2R)-2-(2-oxopropylcarbamoyl)cyclohexyl]indole-2-carboxamide
CID 161137068
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide
CID 133268385
N-[(1S,2R)-2-[(1-hydroxyimino-4-methylpentan-2-yl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 87733242
N-[(1S,2R)-2-[(3-amino-4-methyl-3-pyridin-2-ylcyclopentyl)carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 71104176
N-[(1S,2R)-2-[[1-cyano-3-[(S)-methylsulfinyl]propyl]carbamoyl]cyclohexyl]-1-methylindole-2-carboxamide
CID 91485427
2-[(E)-[4-methyl-2-[[(1R,2S)-2-[(1-methylindole-2-carbonyl)amino]cyclohexanecarbonyl]amino]pentylidene]amino]oxyacetic acid
CID 58808378

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 23510298) is 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid is Cn1c(C(=O)NC2CCCCCC2C(=O)O)cc2ccccc21.
What is the InChIKey of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is VSKPPEANLZKWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-15-10-6-5-7-12(15)11-16(20)17(21)19-14-9-4-2-3-8-13(14)18(22)23/h5-7,10-11,13-14H,2-4,8-9H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindole-2-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 23510298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).