2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid

C16H18N2O3 — CID 82765655

IUPAC2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)8-3-6-13(16)18-14(19)11-4-2-5-12-10(11)7-9-17-12/h2,4-5,7,9,13,17H,3,6,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyXHQOBFFOCKHRRO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds3

About 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid

2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82765655) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82765655
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)8-3-6-13(16)18-14(19)11-4-2-5-12-10(11)7-9-17-12/h2,4-5,7,9,13,17H,3,6,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyXHQOBFFOCKHRRO-UHFFFAOYSA-N
XLogP2.54
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indole-3-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765821
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
2-[(3-bromo-2-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211032
N-(2-hydroxycyclohexyl)-1H-indole-4-carboxamide
CID 62366462
2-[(2-bromo-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83212180
2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763944
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
N-(2-cyanocyclopentyl)-1H-indole-4-carboxamide
CID 55153670
N-(5-azaspiro[3.5]nonan-8-yl)-1H-indole-4-carboxamide
CID 43595331
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid (CID 82765655) is 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is XHQOBFFOCKHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(20)21)8-3-6-13(16)18-14(19)11-4-2-5-12-10(11)7-9-17-12/h2,4-5,7,9,13,17H,3,6,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82765655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).