1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid

C11H20N2O2 — CID 83916937

IUPAC1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid
SMILESCN1CCC2C(C(=O)O)CCN(C)C2C1
InChIInChI=1S/C11H20N2O2/c1-12-5-3-8-9(11(14)15)4-6-13(2)10(8)7-12/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyUAOVUTVQYWDKFL-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.34
Rot. Bonds1

About 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid

1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid (PubChem CID 83916937) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid
PubChem CID83916937
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid
SMILESCN1CCC2C(C(=O)O)CCN(C)C2C1
InChIInChI=1S/C11H20N2O2/c1-12-5-3-8-9(11(14)15)4-6-13(2)10(8)7-12/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyUAOVUTVQYWDKFL-UHFFFAOYSA-N
XLogP0.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-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

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid (CID 83916937) is 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid is CN1CCC2C(C(=O)O)CCN(C)C2C1.
What is the InChIKey of 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid?
The InChIKey is UAOVUTVQYWDKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-5-3-8-9(11(14)15)4-6-13(2)10(8)7-12/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid?
1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 83916937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).