2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid

C16H20N2O3 — CID 64815389

IUPAC2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O3/c19-15(20)13-7-3-4-8-14(13)17-16(21)18-9-11-5-1-2-6-12(11)10-18/h1-2,5-6,13-14H,3-4,7-10H2,(H,17,21)(H,19,20)
InChIKeyRIDLPSNLHWMYBF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.36
Rot. Bonds2

About 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid

2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64815389) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID64815389
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O3/c19-15(20)13-7-3-4-8-14(13)17-16(21)18-9-11-5-1-2-6-12(11)10-18/h1-2,5-6,13-14H,3-4,7-10H2,(H,17,21)(H,19,20)
InChIKeyRIDLPSNLHWMYBF-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024905
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815431
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 66369912
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262768
cis-(1S,2R)-2-(1,3-dihydroisoindole-2-carbonyl)cyclopropane-1-carboxylic acid
CID 94373189

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 64815389) is 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is RIDLPSNLHWMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)13-7-3-4-8-14(13)17-16(21)18-9-11-5-1-2-6-12(11)10-18/h1-2,5-6,13-14H,3-4,7-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid?
2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).