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

C11H16N4O3 — CID 115348205

IUPAC2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c16-10(7-15-6-5-12-14-15)13-9-4-2-1-3-8(9)11(17)18/h5-6,8-9H,1-4,7H2,(H,13,16)(H,17,18)
InChIKeyZKEFQMPZMSVSFR-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.04
Rot. Bonds4

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

2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 115348205) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID115348205
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1ccnn1)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H16N4O3/c16-10(7-15-6-5-12-14-15)13-9-4-2-1-3-8(9)11(17)18/h5-6,8-9H,1-4,7H2,(H,13,16)(H,17,18)
InChIKeyZKEFQMPZMSVSFR-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 2-[[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 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 115348205) is 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1ccnn1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZKEFQMPZMSVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(7-15-6-5-12-14-15)13-9-4-2-1-3-8(9)11(17)18/h5-6,8-9H,1-4,7H2,(H,13,16)(H,17,18).
What are the key properties of 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[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 2-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115348205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).