3-cyclobutylbutanoic acid

C8H14O2 — CID 82594402

IUPAC3-cyclobutylbutanoic acid
SMILESCC(CC(=O)O)C1CCC1
InChIInChI=1S/C8H14O2/c1-6(5-8(9)10)7-3-2-4-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyPRTZGMVAWPXGNA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds3

About 3-cyclobutylbutanoic acid

3-cyclobutylbutanoic acid (PubChem CID 82594402) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-cyclobutylbutanoic acid.

Molecular Properties

Compound Name3-cyclobutylbutanoic acid
PubChem CID82594402
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-cyclobutylbutanoic acid
SMILESCC(CC(=O)O)C1CCC1
InChIInChI=1S/C8H14O2/c1-6(5-8(9)10)7-3-2-4-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyPRTZGMVAWPXGNA-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
4-cyclobutyl-1-hydroxypentan-2-one
CID 123792654
3-cyclohexylbutanoate
CID 3992120
(3S,6S)-3-amino-6-cyclohexylheptanoic acid
CID 68869022
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid
CID 81046818
4-amino-3-cyclopentylpentanoic acid
CID 66096453
5-cyclopentylhexanoic acid
CID 69016722

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylbutanoic acid?
The IUPAC name of 3-cyclobutylbutanoic acid (CID 82594402) is 3-cyclobutylbutanoic acid.
What is the SMILES notation for 3-cyclobutylbutanoic acid?
The canonical SMILES for 3-cyclobutylbutanoic acid is CC(CC(=O)O)C1CCC1.
What is the InChIKey of 3-cyclobutylbutanoic acid?
The InChIKey is PRTZGMVAWPXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(5-8(9)10)7-3-2-4-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-cyclobutylbutanoic acid?
3-cyclobutylbutanoic acid has a molecular weight of 142.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylbutanoic acid is sourced from PubChem (CID 82594402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).