2,3-dihydroxycyclobutane-1-carboxylic acid

C5H8O4 — CID 174933453

IUPAC2,3-dihydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(O)C1O
InChIInChI=1S/C5H8O4/c6-3-1-2(4(3)7)5(8)9/h2-4,6-7H,1H2,(H,8,9)
InChIKeyYNKDJOASCBCSJF-UHFFFAOYSA-N
MW132.11 g/mol
LogP-1.19
Rot. Bonds1

About 2,3-dihydroxycyclobutane-1-carboxylic acid

2,3-dihydroxycyclobutane-1-carboxylic acid (PubChem CID 174933453) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 2,3-dihydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxycyclobutane-1-carboxylic acid
PubChem CID174933453
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2,3-dihydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(O)C1O
InChIInChI=1S/C5H8O4/c6-3-1-2(4(3)7)5(8)9/h2-4,6-7H,1H2,(H,8,9)
InChIKeyYNKDJOASCBCSJF-UHFFFAOYSA-N
XLogP-1.19
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 2,3-dihydroxycyclobutane-1-carboxylic acid (CID 174933453) is 2,3-dihydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 2,3-dihydroxycyclobutane-1-carboxylic acid is O=C(O)C1CC(O)C1O.
What is the InChIKey of 2,3-dihydroxycyclobutane-1-carboxylic acid?
The InChIKey is YNKDJOASCBCSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-3-1-2(4(3)7)5(8)9/h2-4,6-7H,1H2,(H,8,9).
What are the key properties of 2,3-dihydroxycyclobutane-1-carboxylic acid?
2,3-dihydroxycyclobutane-1-carboxylic acid has a molecular weight of 132.11 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 174933453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).