5-methylazepane-2-carboxylic acid

C8H15NO2 — CID 18446405

IUPAC5-methylazepane-2-carboxylic acid
SMILESCC1CCNC(C(=O)O)CC1
InChIInChI=1S/C8H15NO2/c1-6-2-3-7(8(10)11)9-5-4-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyFDJVFABDGTZUKM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds1

About 5-methylazepane-2-carboxylic acid

5-methylazepane-2-carboxylic acid (PubChem CID 18446405) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-methylazepane-2-carboxylic acid.

Molecular Properties

Compound Name5-methylazepane-2-carboxylic acid
PubChem CID18446405
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-methylazepane-2-carboxylic acid
SMILESCC1CCNC(C(=O)O)CC1
InChIInChI=1S/C8H15NO2/c1-6-2-3-7(8(10)11)9-5-4-6/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyFDJVFABDGTZUKM-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methylazepane-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 5-methylazepane-2-carboxylic acid?
The IUPAC name of 5-methylazepane-2-carboxylic acid (CID 18446405) is 5-methylazepane-2-carboxylic acid.
What is the SMILES notation for 5-methylazepane-2-carboxylic acid?
The canonical SMILES for 5-methylazepane-2-carboxylic acid is CC1CCNC(C(=O)O)CC1.
What is the InChIKey of 5-methylazepane-2-carboxylic acid?
The InChIKey is FDJVFABDGTZUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-2-3-7(8(10)11)9-5-4-6/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-methylazepane-2-carboxylic acid?
5-methylazepane-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylazepane-2-carboxylic acid is sourced from PubChem (CID 18446405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).