2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid

C11H17N3O2 — CID 107045186

IUPAC2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(CC(C(=O)O)C2CCCC2)nn1
InChIInChI=1S/C11H17N3O2/c1-14-7-9(12-13-14)6-10(11(15)16)8-4-2-3-5-8/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyDXNIYHGMVFOBPX-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.25
Rot. Bonds4

About 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid

2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid (PubChem CID 107045186) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
PubChem CID107045186
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
SMILESCn1cc(CC(C(=O)O)C2CCCC2)nn1
InChIInChI=1S/C11H17N3O2/c1-14-7-9(12-13-14)6-10(11(15)16)8-4-2-3-5-8/h7-8,10H,2-6H2,1H3,(H,15,16)
InChIKeyDXNIYHGMVFOBPX-UHFFFAOYSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045098
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
CID 107045995
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119
1-(1,1-dioxothian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065689
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064594
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid?
The IUPAC name of 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid (CID 107045186) is 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid?
The canonical SMILES for 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid is Cn1cc(CC(C(=O)O)C2CCCC2)nn1.
What is the InChIKey of 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid?
The InChIKey is DXNIYHGMVFOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-7-9(12-13-14)6-10(11(15)16)8-4-2-3-5-8/h7-8,10H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid?
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 107045186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).