2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid

C15H26N2O2 — CID 81206109

IUPAC2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCCC2CN(C3CCCC3C(=O)O)CCC21
InChIInChI=1S/C15H26N2O2/c1-16-8-3-4-11-10-17(9-7-13(11)16)14-6-2-5-12(14)15(18)19/h11-14H,2-10H2,1H3,(H,18,19)
InChIKeyDLFFCOJZVMCCBU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid

2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid (PubChem CID 81206109) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
PubChem CID81206109
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCCC2CN(C3CCCC3C(=O)O)CCC21
InChIInChI=1S/C15H26N2O2/c1-16-8-3-4-11-10-17(9-7-13(11)16)14-6-2-5-12(14)15(18)19/h11-14H,2-10H2,1H3,(H,18,19)
InChIKeyDLFFCOJZVMCCBU-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)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

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63066915
2-(3-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821308
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63069445
2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63619710
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,1-dioxothiolan-3-ol
CID 114286773
2-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114540602
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81199939
3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
CID 81198795

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid (CID 81206109) is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid is CN1CCCC2CN(C3CCCC3C(=O)O)CCC21.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
The InChIKey is DLFFCOJZVMCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-8-3-4-11-10-17(9-7-13(11)16)14-6-2-5-12(14)15(18)19/h11-14H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid?
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81206109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).