2-cyclobutyl-2-hydroxypentanoic acid

C9H16O3 — CID 83051264

IUPAC2-cyclobutyl-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCC1
InChIInChI=1S/C9H16O3/c1-2-6-9(12,8(10)11)7-4-3-5-7/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyPFNQTRUUKSGBRK-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds4

About 2-cyclobutyl-2-hydroxypentanoic acid

2-cyclobutyl-2-hydroxypentanoic acid (PubChem CID 83051264) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-cyclobutyl-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-cyclobutyl-2-hydroxypentanoic acid
PubChem CID83051264
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-cyclobutyl-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C1CCC1
InChIInChI=1S/C9H16O3/c1-2-6-9(12,8(10)11)7-4-3-5-7/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyPFNQTRUUKSGBRK-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-ethylcycloheptyl)-2-hydroxypentanoate
CID 83050545
2-cyclopentyl-2-hydroxybutanedioic acid
CID 165483001
2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypentanoic acid
CID 83051691
2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
CID 79304063
4-cyclopentylheptan-4-ol
CID 114865959
2-(aminomethyl)-2-cycloheptylpentanoic acid
CID 106488140
2-hydroxy-2-(thian-4-yl)butanoic acid
CID 79303672
2-(cyclobutylmethyl)-2-propylpropanedioic acid
CID 174560392
4-cycloheptylheptan-4-ol
CID 114866126
2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 83051375
3-cyclobutyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105442128
2-cyclohexylpentan-2-ol
CID 75245103

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-hydroxypentanoic acid?
The IUPAC name of 2-cyclobutyl-2-hydroxypentanoic acid (CID 83051264) is 2-cyclobutyl-2-hydroxypentanoic acid.
What is the SMILES notation for 2-cyclobutyl-2-hydroxypentanoic acid?
The canonical SMILES for 2-cyclobutyl-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-hydroxypentanoic acid?
The InChIKey is PFNQTRUUKSGBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-6-9(12,8(10)11)7-4-3-5-7/h7,12H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-cyclobutyl-2-hydroxypentanoic acid?
2-cyclobutyl-2-hydroxypentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-hydroxypentanoic acid is sourced from PubChem (CID 83051264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).