4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid

C9H16O3 — CID 79414579

IUPAC4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)C(O)C1CC1
InChIInChI=1S/C9H16O3/c1-5(6(2)9(11)12)8(10)7-3-4-7/h5-8,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyUWEHDWQODHWKSQ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.11
Rot. Bonds4

About 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid

4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid (PubChem CID 79414579) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid
PubChem CID79414579
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)C(O)C1CC1
InChIInChI=1S/C9H16O3/c1-5(6(2)9(11)12)8(10)7-3-4-7/h5-8,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyUWEHDWQODHWKSQ-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-4-hydroxy-2,3-dimethylbutanoic acid
CID 79413893
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
bicyclo[2.2.0]hexane;2-hydroxypropanoic acid
CID 20517253
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
2-cyclopentyl-4-hydroxy-3-methylpentanoic acid
CID 112569249
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893
3-(cyclopropylmethylamino)-2-methylbutanoic acid
CID 79392139
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
3-hydroxy-2,4-dimethylpent-4-enoic acid
CID 13152656
cyclopropanol;2-methylpropanoic acid
CID 174792699

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid?
The IUPAC name of 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid (CID 79414579) is 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid.
What is the SMILES notation for 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid?
The canonical SMILES for 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid is CC(C(=O)O)C(C)C(O)C1CC1.
What is the InChIKey of 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid?
The InChIKey is UWEHDWQODHWKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-5(6(2)9(11)12)8(10)7-3-4-7/h5-8,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid?
4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid is sourced from PubChem (CID 79414579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).