2-cyclopropyl-4-hydroxy-2-methylbutanoic acid

C8H14O3 — CID 83153767

IUPAC2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
SMILESCC(CCO)(C(=O)O)C1CC1
InChIInChI=1S/C8H14O3/c1-8(4-5-9,7(10)11)6-2-3-6/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyVSGZNZUREZLCKI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.87
Rot. Bonds4

About 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid

2-cyclopropyl-4-hydroxy-2-methylbutanoic acid (PubChem CID 83153767) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
PubChem CID83153767
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-cyclopropyl-4-hydroxy-2-methylbutanoic acid
SMILESCC(CCO)(C(=O)O)C1CC1
InChIInChI=1S/C8H14O3/c1-8(4-5-9,7(10)11)6-2-3-6/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyVSGZNZUREZLCKI-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(propan-2-yl)cyclopropane-1-carboxylic acid
CID 62388317
3-Cyclopropyl-3-methylbutanoic acid
CID 55303305
4-Cyclopropyloxane-4-carboxylic acid
CID 75355393
(1R,2R)-2-Tert-butylcyclopropane-1-carboxylic acid
CID 124539977
rac-sodium (1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 167728191
sodium (1S,2S)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
CID 178200007
sodium (1R,2R)-2-(hydroxymethyl)-1-methylcyclopropane-1-carboxylate
CID 178200014
trans-methyl (1R,2R)-2-(hydroxymethyl)-1-methylcyclobutane-1-carboxylate
CID 93501519
2,2-Diethylcyclopropanecarboxylic acid
CID 260718
3-Cyclopropyl-4-methoxy-3-methyl-4-oxobutanoic acid
CID 15709314
(1R,2R)-2-(hydroxymethyl)-2,3,3-trimethylcyclopropane-1-carboxylic acid
CID 181322
3-Cyclopropyl-2-fluoro-4-methoxybutanoic acid
CID 81358483

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid?
The IUPAC name of 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid (CID 83153767) is 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid is CC(CCO)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid?
The InChIKey is VSGZNZUREZLCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(4-5-9,7(10)11)6-2-3-6/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid?
2-cyclopropyl-4-hydroxy-2-methylbutanoic acid has a molecular weight of 158.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 83153767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).