1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid

C14H20N2O3 — CID 82908085

IUPAC1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1CCn1ccccc1=O
InChIInChI=1S/C14H20N2O3/c17-13-7-3-5-9-16(13)11-10-15-8-4-1-2-6-12(15)14(18)19/h3,5,7,9,12H,1-2,4,6,8,10-11H2,(H,18,19)
InChIKeyOGAHOCSZXVIGFG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds4

About 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid

1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid (PubChem CID 82908085) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid
PubChem CID82908085
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1CCn1ccccc1=O
InChIInChI=1S/C14H20N2O3/c17-13-7-3-5-9-16(13)11-10-15-8-4-1-2-6-12(15)14(18)19/h3,5,7,9,12H,1-2,4,6,8,10-11H2,(H,18,19)
InChIKeyOGAHOCSZXVIGFG-UHFFFAOYSA-N
XLogP1.18
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-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-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid?
The IUPAC name of 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid (CID 82908085) is 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid is O=C(O)C1CCCCCN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid?
The InChIKey is OGAHOCSZXVIGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-7-3-5-9-16(13)11-10-15-8-4-1-2-6-12(15)14(18)19/h3,5,7,9,12H,1-2,4,6,8,10-11H2,(H,18,19).
What are the key properties of 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid?
1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxo-1-pyridinyl)ethyl]azepane-2-carboxylic acid is sourced from PubChem (CID 82908085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).