1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid

C18H22N2O3 — CID 120538552

IUPAC1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCn1cc(C(=O)NC2(C(=O)O)CCCCCC2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-12-14(13-8-4-5-9-15(13)20)16(21)19-18(17(22)23)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCJNRNTXPSGWPDW-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.09
Rot. Bonds3

About 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 120538552) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID120538552
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCn1cc(C(=O)NC2(C(=O)O)CCCCCC2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-20-12-14(13-8-4-5-9-15(13)20)16(21)19-18(17(22)23)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,21)(H,22,23)
InChIKeyCJNRNTXPSGWPDW-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methylindole-3-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

1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
2-[4-[(1-methylindole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214944
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
CID 14069774
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
1-methyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]indole-3-carboxamide
CID 55736422
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 120538552) is 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid is Cn1cc(C(=O)NC2(C(=O)O)CCCCCC2)c2ccccc21.
What is the InChIKey of 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is CJNRNTXPSGWPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-12-14(13-8-4-5-9-15(13)20)16(21)19-18(17(22)23)10-6-2-3-7-11-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).