2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid

C15H24N2O3 — CID 64812504

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)C1CC2CCCCC2N1
InChIInChI=1S/C15H24N2O3/c18-14(17-12-7-3-5-10(12)15(19)20)13-8-9-4-1-2-6-11(9)16-13/h9-13,16H,1-8H2,(H,17,18)(H,19,20)
InChIKeyWRRCXAOWDDVYLK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.28
Rot. Bonds3

About 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64812504) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID64812504
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)C1CC2CCCCC2N1
InChIInChI=1S/C15H24N2O3/c18-14(17-12-7-3-5-10(12)15(19)20)13-8-9-4-1-2-6-11(9)16-13/h9-13,16H,1-8H2,(H,17,18)(H,19,20)
InChIKeyWRRCXAOWDDVYLK-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24711712
N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103798035
N-(4-hydroxycyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24706207
(2S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 6543676
(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbohydrazide
CID 124677412
N-(thian-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119313222
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
N-(3-methylcyclobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 113467214
N-(3-methylsulfanylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119329950
N-(1-acetylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119112186
N-(1-phenylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863000
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 102893202

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid (CID 64812504) is 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)C1CC2CCCCC2N1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WRRCXAOWDDVYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(17-12-7-3-5-10(12)15(19)20)13-8-9-4-1-2-6-11(9)16-13/h9-13,16H,1-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid?
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).