3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid

C17H21NO3 — CID 63043266

IUPAC3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H21NO3/c19-16(13-8-7-11-3-1-4-12(11)9-13)18-15-6-2-5-14(10-15)17(20)21/h7-9,14-15H,1-6,10H2,(H,18,19)(H,20,21)
InChIKeyMUFWJYAJELPSTB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds3

About 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid

3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 63043266) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID63043266
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H21NO3/c19-16(13-8-7-11-3-1-4-12(11)9-13)18-15-6-2-5-14(10-15)17(20)21/h7-9,14-15H,1-6,10H2,(H,18,19)(H,20,21)
InChIKeyMUFWJYAJELPSTB-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
3-[(3-bromo-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044376
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043468
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid (CID 63043266) is 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is MUFWJYAJELPSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(13-8-7-11-3-1-4-12(11)9-13)18-15-6-2-5-14(10-15)17(20)21/h7-9,14-15H,1-6,10H2,(H,18,19)(H,20,21).
What are the key properties of 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid?
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).