3-(1-hydroxycyclobutyl)propanoic acid

C7H12O3 — CID 66323196

IUPAC3-(1-hydroxycyclobutyl)propanoic acid
SMILESO=C(O)CCC1(O)CCC1
InChIInChI=1S/C7H12O3/c8-6(9)2-5-7(10)3-1-4-7/h10H,1-5H2,(H,8,9)
InChIKeyMRJLFSVCKOUTFW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.77
Rot. Bonds3

About 3-(1-hydroxycyclobutyl)propanoic acid

3-(1-hydroxycyclobutyl)propanoic acid (PubChem CID 66323196) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(1-hydroxycyclobutyl)propanoic acid.

Molecular Properties

Compound Name3-(1-hydroxycyclobutyl)propanoic acid
PubChem CID66323196
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-(1-hydroxycyclobutyl)propanoic acid
SMILESO=C(O)CCC1(O)CCC1
InChIInChI=1S/C7H12O3/c8-6(9)2-5-7(10)3-1-4-7/h10H,1-5H2,(H,8,9)
InChIKeyMRJLFSVCKOUTFW-UHFFFAOYSA-N
XLogP0.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclobutyl)propanoic acid?
The IUPAC name of 3-(1-hydroxycyclobutyl)propanoic acid (CID 66323196) is 3-(1-hydroxycyclobutyl)propanoic acid.
What is the SMILES notation for 3-(1-hydroxycyclobutyl)propanoic acid?
The canonical SMILES for 3-(1-hydroxycyclobutyl)propanoic acid is O=C(O)CCC1(O)CCC1.
What is the InChIKey of 3-(1-hydroxycyclobutyl)propanoic acid?
The InChIKey is MRJLFSVCKOUTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-6(9)2-5-7(10)3-1-4-7/h10H,1-5H2,(H,8,9).
What are the key properties of 3-(1-hydroxycyclobutyl)propanoic acid?
3-(1-hydroxycyclobutyl)propanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclobutyl)propanoic acid is sourced from PubChem (CID 66323196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).