2,3-dihydroxyoxirane-2-carboxylic acid

C3H4O5 — CID 57143939

IUPAC2,3-dihydroxyoxirane-2-carboxylic acid
SMILESO=C(O)C1(O)OC1O
InChIInChI=1S/C3H4O5/c4-1(5)3(7)2(6)8-3/h2,6-7H,(H,4,5)
InChIKeyJMXHHUZISKSYHG-UHFFFAOYSA-N
MW120.06 g/mol
LogP-1.89
Rot. Bonds1

About 2,3-dihydroxyoxirane-2-carboxylic acid

2,3-dihydroxyoxirane-2-carboxylic acid (PubChem CID 57143939) has the molecular formula C3H4O5 and a molecular weight of 120.06 g/mol. Its IUPAC name is 2,3-dihydroxyoxirane-2-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxyoxirane-2-carboxylic acid
PubChem CID57143939
Molecular FormulaC3H4O5
Molecular Weight120.06 g/mol
Exact Mass120.01
IUPAC Name2,3-dihydroxyoxirane-2-carboxylic acid
SMILESO=C(O)C1(O)OC1O
InChIInChI=1S/C3H4O5/c4-1(5)3(7)2(6)8-3/h2,6-7H,(H,4,5)
InChIKeyJMXHHUZISKSYHG-UHFFFAOYSA-N
XLogP-1.89
TPSA90.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.06
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,3-dihydroxyoxirane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxyoxirane-2-carboxylic acid?
The IUPAC name of 2,3-dihydroxyoxirane-2-carboxylic acid (CID 57143939) is 2,3-dihydroxyoxirane-2-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxyoxirane-2-carboxylic acid?
The canonical SMILES for 2,3-dihydroxyoxirane-2-carboxylic acid is O=C(O)C1(O)OC1O.
What is the InChIKey of 2,3-dihydroxyoxirane-2-carboxylic acid?
The InChIKey is JMXHHUZISKSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O5/c4-1(5)3(7)2(6)8-3/h2,6-7H,(H,4,5).
What are the key properties of 2,3-dihydroxyoxirane-2-carboxylic acid?
2,3-dihydroxyoxirane-2-carboxylic acid has a molecular weight of 120.06 g/mol, XLogP of -1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxyoxirane-2-carboxylic acid is sourced from PubChem (CID 57143939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).