3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid

C16H20N2O3 — CID 76985611

IUPAC3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC(=O)C2Cc3ccccc3N2)C1
InChIInChI=1S/C16H20N2O3/c19-15(14-9-10-4-1-2-7-13(10)18-14)17-12-6-3-5-11(8-12)16(20)21/h1-2,4,7,11-12,14,18H,3,5-6,8-9H2,(H,17,19)(H,20,21)
InChIKeyXHQHSPJOWHGNSK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds3

About 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid

3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 76985611) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID76985611
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC(=O)C2Cc3ccccc3N2)C1
InChIInChI=1S/C16H20N2O3/c19-15(14-9-10-4-1-2-7-13(10)18-14)17-12-6-3-5-11(8-12)16(20)21/h1-2,4,7,11-12,14,18H,3,5-6,8-9H2,(H,17,19)(H,20,21)
InChIKeyXHQHSPJOWHGNSK-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035
N-(2-methylcyclopentyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76993656
(2S)-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 107221687
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567392
(2S)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61178008
(2S)-N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61156890
N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83022174
(2S)-N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83020881
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 76985611) is 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NC(=O)C2Cc3ccccc3N2)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is XHQHSPJOWHGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(14-9-10-4-1-2-7-13(10)18-14)17-12-6-3-5-11(8-12)16(20)21/h1-2,4,7,11-12,14,18H,3,5-6,8-9H2,(H,17,19)(H,20,21).
What are the key properties of 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid?
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 76985611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).