2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid

C16H18N2O3 — CID 22712391

IUPAC2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H18N2O3/c19-15(11-6-5-10-7-8-17-14(10)9-11)18-13-4-2-1-3-12(13)16(20)21/h5-9,12-13,17H,1-4H2,(H,18,19)(H,20,21)
InChIKeyRGJJAXWIGHVALI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds3

About 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid

2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 22712391) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID22712391
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H18N2O3/c19-15(11-6-5-10-7-8-17-14(10)9-11)18-13-4-2-1-3-12(13)16(20)21/h5-9,12-13,17H,1-4H2,(H,18,19)(H,20,21)
InChIKeyRGJJAXWIGHVALI-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

N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide
CID 20740205
N-(2-cyclopropyloxolan-3-yl)-1H-indole-6-carboxamide
CID 103864226
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
N-[2-[[4-(N,N-dimethyl-N'-methylsulfonylcarbamimidoyl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 142943321
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813950
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid (CID 22712391) is 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RGJJAXWIGHVALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(11-6-5-10-7-8-17-14(10)9-11)18-13-4-2-1-3-12(13)16(20)21/h5-9,12-13,17H,1-4H2,(H,18,19)(H,20,21).
What are the key properties of 2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid?
2-(1H-indole-6-carbonylamino)cyclohexane-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-6-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22712391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).