2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C15H22N2O2 — CID 103464835

IUPAC2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC(C)(C)CNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H22N2O2/c1-4-15(2,3)9-16-13-11(14(18)19)8-10-6-5-7-12(10)17-13/h8H,4-7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFZFLOIIPNYUKBF-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.12
Rot. Bonds5

About 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 103464835) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID103464835
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC(C)(C)CNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C15H22N2O2/c1-4-15(2,3)9-16-13-11(14(18)19)8-10-6-5-7-12(10)17-13/h8H,4-7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFZFLOIIPNYUKBF-UHFFFAOYSA-N
XLogP3.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 103464835) is 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCC(C)(C)CNc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is FZFLOIIPNYUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-15(2,3)9-16-13-11(14(18)19)8-10-6-5-7-12(10)17-13/h8H,4-7,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 103464835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).