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

C13H24N2O2 — CID 81199050

IUPAC2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C13H24N2O2/c1-3-11(13(16)17)15-8-6-12-10(9-15)5-4-7-14(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyXXXDTDMJGWLRSF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.27
Rot. Bonds3

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

2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid (PubChem CID 81199050) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid
PubChem CID81199050
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C13H24N2O2/c1-3-11(13(16)17)15-8-6-12-10(9-15)5-4-7-14(12)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyXXXDTDMJGWLRSF-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.27
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)butanoic acid with MolForge

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Related Compounds

4,4,4-Trifluoro-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid
CID 81205454
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)butanoic acid
CID 43235135
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propanoic acid
CID 43423269
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylbutanoic acid
CID 43423270
2-(3-Ethylpiperidin-1-yl)-3-methylbutanoic acid
CID 43584692
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylbutanoic acid
CID 43628345
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid
CID 43628350
2-(3-Ethylpiperidin-1-yl)butanoic acid
CID 43809019
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanoic acid
CID 43809027
3-Methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 61243718
2-(2,3-Dimethylpiperidin-1-yl)butanoic acid
CID 62122861
2-(2,3-Dimethylpiperidin-1-yl)-3-methylbutanoic acid
CID 62123221

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)butanoic acid?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid (CID 81199050) is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid is CCC(C(=O)O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid?
The InChIKey is XXXDTDMJGWLRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-11(13(16)17)15-8-6-12-10(9-15)5-4-7-14(12)2/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid?
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.27, 3 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)butanoic acid is sourced from PubChem (CID 81199050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).