2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C13H18N2O2 — CID 62702838

IUPAC2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)N(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C13H18N2O2/c1-8(2)15(3)12-10(13(16)17)7-9-5-4-6-11(9)14-12/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyRWXNWACYVBLTEP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.11
Rot. Bonds3

About 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62702838) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62702838
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(C)N(C)c1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C13H18N2O2/c1-8(2)15(3)12-10(13(16)17)7-9-5-4-6-11(9)14-12/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyRWXNWACYVBLTEP-UHFFFAOYSA-N
XLogP2.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-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 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62702838) is 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC(C)N(C)c1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is RWXNWACYVBLTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)15(3)12-10(13(16)17)7-9-5-4-6-11(9)14-12/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62702838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).