3-cyclobutylpropanoic acid

C7H12O2 — CID 13155029

IUPAC3-cyclobutylpropanoic acid
SMILESO=C(O)CCC1CCC1
InChIInChI=1S/C7H12O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-5H2,(H,8,9)
InChIKeyVNCXJXZUMVHKNG-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.65
Rot. Bonds3

About 3-cyclobutylpropanoic acid

3-cyclobutylpropanoic acid (PubChem CID 13155029) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-cyclobutylpropanoic acid.

Molecular Properties

Compound Name3-cyclobutylpropanoic acid
PubChem CID13155029
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-cyclobutylpropanoic acid
SMILESO=C(O)CCC1CCC1
InChIInChI=1S/C7H12O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-5H2,(H,8,9)
InChIKeyVNCXJXZUMVHKNG-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxylic acid
CID 7413
Cyclohexaneacetic acid
CID 21363
4-Ethyloctanoic acid
CID 61840
(+-)-4-Methylhexanoic acid
CID 15271
4-Methyloctanoic acid
CID 62089
3-Methylhexanoic acid
CID 95315
4-Methylheptanoic acid
CID 13800369
Cyclopentanepropanoic acid
CID 8818
Cyclopentylacetic acid
CID 71606
Cycloundecanecarboxylic acid
CID 101877
4-Methylhexanoic acid, (4R)-
CID 12600623
2-Ethylhexanedioic acid
CID 152459

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylpropanoic acid?
The IUPAC name of 3-cyclobutylpropanoic acid (CID 13155029) is 3-cyclobutylpropanoic acid.
What is the SMILES notation for 3-cyclobutylpropanoic acid?
The canonical SMILES for 3-cyclobutylpropanoic acid is O=C(O)CCC1CCC1.
What is the InChIKey of 3-cyclobutylpropanoic acid?
The InChIKey is VNCXJXZUMVHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7(9)5-4-6-2-1-3-6/h6H,1-5H2,(H,8,9).
What are the key properties of 3-cyclobutylpropanoic acid?
3-cyclobutylpropanoic acid has a molecular weight of 128.17 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylpropanoic acid is sourced from PubChem (CID 13155029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).