3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid

C16H28N2O2 — CID 82751462

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CCC3CCCCC32)C1
InChIInChI=1S/C16H28N2O2/c1-2-17-16(15(19)20)9-7-13(11-16)18-10-8-12-5-3-4-6-14(12)18/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyRFRIQRATGODXME-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.24
Rot. Bonds4

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid (PubChem CID 82751462) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
PubChem CID82751462
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CCC3CCCCC32)C1
InChIInChI=1S/C16H28N2O2/c1-2-17-16(15(19)20)9-7-13(11-16)18-10-8-12-5-3-4-6-14(12)18/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyRFRIQRATGODXME-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 82753519
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79646112
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
CID 82751207
3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641319
1-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 106588655
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
1-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 102886193
1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79651615

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid (CID 82751462) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N2CCC3CCCCC32)C1.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RFRIQRATGODXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-17-16(15(19)20)9-7-13(11-16)18-10-8-12-5-3-4-6-14(12)18/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82751462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).