2-cyclopropyl-3-hydroxy-2-methylpropanoic acid

C7H12O3 — CID 126974927

IUPAC2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)C1CC1
InChIInChI=1S/C7H12O3/c1-7(4-8,6(9)10)5-2-3-5/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyKXEROEJYKFKHBK-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.48
Rot. Bonds3

About 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid

2-cyclopropyl-3-hydroxy-2-methylpropanoic acid (PubChem CID 126974927) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
PubChem CID126974927
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-cyclopropyl-3-hydroxy-2-methylpropanoic acid
SMILESCC(CO)(C(=O)O)C1CC1
InChIInChI=1S/C7H12O3/c1-7(4-8,6(9)10)5-2-3-5/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyKXEROEJYKFKHBK-UHFFFAOYSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-3-hydroxy-2-methylpropanoic 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-cyclopropyl-4-hydroxy-2-methylbutanoic acid
CID 83153767
2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
CID 83154949
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
3-amino-2-cyclobutyl-2-methylpropanoic acid
CID 106487162
5-chloro-2-cyclopropyl-2,4-dimethylpent-4-enoic acid
CID 106439411
3-aminooxy-2-cyclopentyl-2-methylpropanoic acid
CID 105442610
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-cyclopropyl-2,3,3-trimethylbutanoic acid
CID 90080319
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
2-cyclopropyl-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 83154745
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid (CID 126974927) is 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid is CC(CO)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid?
The InChIKey is KXEROEJYKFKHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(4-8,6(9)10)5-2-3-5/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid?
2-cyclopropyl-3-hydroxy-2-methylpropanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 126974927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).