3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C11H16N4O3 — CID 113291657

IUPAC3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H16N4O3/c16-10(7-15-5-4-12-14-15)13-9-3-1-2-8(6-9)11(17)18/h4-5,8-9H,1-3,6-7H2,(H,13,16)(H,17,18)
InChIKeyICCWKIUOQILYTC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds4

About 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 113291657) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID113291657
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H16N4O3/c16-10(7-15-5-4-12-14-15)13-9-3-1-2-8(6-9)11(17)18/h4-5,8-9H,1-3,6-7H2,(H,13,16)(H,17,18)
InChIKeyICCWKIUOQILYTC-UHFFFAOYSA-N
XLogP0.04
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-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 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 113291657) is 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1ccnn1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ICCWKIUOQILYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(7-15-5-4-12-14-15)13-9-3-1-2-8(6-9)11(17)18/h4-5,8-9H,1-3,6-7H2,(H,13,16)(H,17,18).
What are the key properties of 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113291657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).