3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid

C8H10O2 — CID 107003443

IUPAC3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid
SMILESCC1(C)CC1C#CC(=O)O
InChIInChI=1S/C8H10O2/c1-8(2)5-6(8)3-4-7(9)10/h6H,5H2,1-2H3,(H,9,10)
InChIKeyCARUEKVVTSNVMY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.12
Rot. Bonds

About 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid

3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid (PubChem CID 107003443) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid
PubChem CID107003443
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid
SMILESCC1(C)CC1C#CC(=O)O
InChIInChI=1S/C8H10O2/c1-8(2)5-6(8)3-4-7(9)10/h6H,5H2,1-2H3,(H,9,10)
InChIKeyCARUEKVVTSNVMY-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(2,2-dimethylcyclopropyl)prop-2-ynoic 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-(2,2-dimethylcyclopropyl)prop-2-ynoic acid?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid (CID 107003443) is 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid is CC1(C)CC1C#CC(=O)O.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid?
The InChIKey is CARUEKVVTSNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-8(2)5-6(8)3-4-7(9)10/h6H,5H2,1-2H3,(H,9,10).
What are the key properties of 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid?
3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid has a molecular weight of 138.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)prop-2-ynoic acid is sourced from PubChem (CID 107003443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).