3-(hydroxymethoxy)oxirane-2-carboxylic acid

C4H6O5 — CID 59108271

IUPAC3-(hydroxymethoxy)oxirane-2-carboxylic acid
SMILESO=C(O)C1OC1OCO
InChIInChI=1S/C4H6O5/c5-1-8-4-2(9-4)3(6)7/h2,4-5H,1H2,(H,6,7)
InChIKeyFIMNBERXUGSCBX-UHFFFAOYSA-N
MW134.09 g/mol
LogP-1.24
Rot. Bonds3

About 3-(hydroxymethoxy)oxirane-2-carboxylic acid

3-(hydroxymethoxy)oxirane-2-carboxylic acid (PubChem CID 59108271) has the molecular formula C4H6O5 and a molecular weight of 134.09 g/mol. Its IUPAC name is 3-(hydroxymethoxy)oxirane-2-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethoxy)oxirane-2-carboxylic acid
PubChem CID59108271
Molecular FormulaC4H6O5
Molecular Weight134.09 g/mol
Exact Mass134.02
IUPAC Name3-(hydroxymethoxy)oxirane-2-carboxylic acid
SMILESO=C(O)C1OC1OCO
InChIInChI=1S/C4H6O5/c5-1-8-4-2(9-4)3(6)7/h2,4-5H,1H2,(H,6,7)
InChIKeyFIMNBERXUGSCBX-UHFFFAOYSA-N
XLogP-1.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Carboxyoxy-2-hydroxypropanoic acid
CID 54014776
Glycerol diether
CID 57143939
methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate
CID 15934347
(2R,3R)-3-methoxyoxirane-2-carboxylic acid
CID 18643480
1,3-Dioxolane-4-carboxylic acid
CID 19039008
1,3-Dioxolane-2,4-dicarboxylic acid
CID 20378064
1,2,2-Trihydroxyethyl 2,3-dihydroxypropanoate
CID 20497417
2-(Hydroxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 22097445
2-(1-Ethoxy-2-methoxy-2-oxoethoxy)-3-hydroxypropanoic acid
CID 54132081
2-[Carboxy(propoxy)methoxy]-3-hydroxypropanoic acid
CID 56981900
2-[Carboxy(ethoxy)methoxy]-3-hydroxypropanoic acid
CID 57229172
3-Formyloxyoxirane-2-carboxylic acid
CID 58049526

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethoxy)oxirane-2-carboxylic acid?
The IUPAC name of 3-(hydroxymethoxy)oxirane-2-carboxylic acid (CID 59108271) is 3-(hydroxymethoxy)oxirane-2-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethoxy)oxirane-2-carboxylic acid?
The canonical SMILES for 3-(hydroxymethoxy)oxirane-2-carboxylic acid is O=C(O)C1OC1OCO.
What is the InChIKey of 3-(hydroxymethoxy)oxirane-2-carboxylic acid?
The InChIKey is FIMNBERXUGSCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5/c5-1-8-4-2(9-4)3(6)7/h2,4-5H,1H2,(H,6,7).
What are the key properties of 3-(hydroxymethoxy)oxirane-2-carboxylic acid?
3-(hydroxymethoxy)oxirane-2-carboxylic acid has a molecular weight of 134.09 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethoxy)oxirane-2-carboxylic acid is sourced from PubChem (CID 59108271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).