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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Related Compounds

(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
4-hydroxy-5-methylcyclohexane-1,2-dicarboxylic acid
CID 71027320
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199
4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid
CID 168747858
2,3-dihydroxy-5-(1-hydroxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 170458140
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837

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).