2-cyclopropyl-2,3,3-trimethylbutanoic acid

C10H18O2 — CID 90080319

IUPAC2-cyclopropyl-2,3,3-trimethylbutanoic acid
SMILESCC(C)(C)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H18O2/c1-9(2,3)10(4,8(11)12)7-5-6-7/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyYNBHGJJYBIUFIK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds2

About 2-cyclopropyl-2,3,3-trimethylbutanoic acid

2-cyclopropyl-2,3,3-trimethylbutanoic acid (PubChem CID 90080319) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-cyclopropyl-2,3,3-trimethylbutanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2,3,3-trimethylbutanoic acid
PubChem CID90080319
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-cyclopropyl-2,3,3-trimethylbutanoic acid
SMILESCC(C)(C)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H18O2/c1-9(2,3)10(4,8(11)12)7-5-6-7/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyYNBHGJJYBIUFIK-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-2,3,3-trimethylbutanoic 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-cyclopropyl-2,3,3-trimethylbutanoic acid?
The IUPAC name of 2-cyclopropyl-2,3,3-trimethylbutanoic acid (CID 90080319) is 2-cyclopropyl-2,3,3-trimethylbutanoic acid.
What is the SMILES notation for 2-cyclopropyl-2,3,3-trimethylbutanoic acid?
The canonical SMILES for 2-cyclopropyl-2,3,3-trimethylbutanoic acid is CC(C)(C)C(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2,3,3-trimethylbutanoic acid?
The InChIKey is YNBHGJJYBIUFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,3)10(4,8(11)12)7-5-6-7/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-cyclopropyl-2,3,3-trimethylbutanoic acid?
2-cyclopropyl-2,3,3-trimethylbutanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,3,3-trimethylbutanoic acid is sourced from PubChem (CID 90080319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).