4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid

C17H21NO3 — CID 119229646

IUPAC4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C17H21NO3/c19-16(15-10-7-11-3-1-2-4-14(11)15)18-13-8-5-12(6-9-13)17(20)21/h1-4,12-13,15H,5-10H2,(H,18,19)(H,20,21)
InChIKeyIDHUDFYXEUCIOJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds3

About 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid

4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 119229646) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID119229646
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCc3ccccc32)CC1
InChIInChI=1S/C17H21NO3/c19-16(15-10-7-11-3-1-2-4-14(11)15)18-13-8-5-12(6-9-13)17(20)21/h1-4,12-13,15H,5-10H2,(H,18,19)(H,20,21)
InChIKeyIDHUDFYXEUCIOJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120679080
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 77081814
(1R)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99949518
4-(2,3-dihydro-1-benzothiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 79214122
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229415
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525
(1R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 95761037
(1S)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99946478
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid (CID 119229646) is 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CCc3ccccc32)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IDHUDFYXEUCIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(15-10-7-11-3-1-2-4-14(11)15)18-13-8-5-12(6-9-13)17(20)21/h1-4,12-13,15H,5-10H2,(H,18,19)(H,20,21).
What are the key properties of 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid?
4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).