3-formyloxy-3-hydroxypropanoic acid

C4H6O5 — CID 58523990

IUPAC3-formyloxy-3-hydroxypropanoic acid
SMILESO=COC(O)CC(=O)O
InChIInChI=1S/C4H6O5/c5-2-9-4(8)1-3(6)7/h2,4,8H,1H2,(H,6,7)
InChIKeyGOAHNOLMUHPFKJ-UHFFFAOYSA-N
MW134.09 g/mol
LogP-1.05
Rot. Bonds4

About 3-formyloxy-3-hydroxypropanoic acid

3-formyloxy-3-hydroxypropanoic acid (PubChem CID 58523990) has the molecular formula C4H6O5 and a molecular weight of 134.09 g/mol. Its IUPAC name is 3-formyloxy-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-formyloxy-3-hydroxypropanoic acid
PubChem CID58523990
Molecular FormulaC4H6O5
Molecular Weight134.09 g/mol
Exact Mass134.02
IUPAC Name3-formyloxy-3-hydroxypropanoic acid
SMILESO=COC(O)CC(=O)O
InChIInChI=1S/C4H6O5/c5-2-9-4(8)1-3(6)7/h2,4,8H,1H2,(H,6,7)
InChIKeyGOAHNOLMUHPFKJ-UHFFFAOYSA-N
XLogP-1.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-bromo-3-formyloxypropanoic acid
CID 153469297
3-(carboxymethoxy)-3-hydroxypropanoic acid
CID 173213514
3-(1-carboxy-3-oxopropan-2-yl)oxy-4-oxobutanoic acid
CID 54490256
2-(1,2-diformyloxyethylamino)butanedioic acid
CID 87160000
2-(1-formyloxyethoxy)acetic acid
CID 88859959
3,4-dihydroxybutanoic acid;formic acid
CID 90280644
1-hydroxyoctyl formate
CID 54104225
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
4-oxo-3-propan-2-yloxybutanoic acid
CID 177019127
2-ethenoxybutanedioic acid
CID 139665249
formyl 4-formyloxy-4-hydroxy-3-sulfanylidenebutanoate
CID 90984942
4-(3-carboxy-2-hydroxypropanoyl)oxy-3-hydroxy-4-oxobutanoic acid;ethene
CID 87593463

Frequently Asked Questions

What is the IUPAC name of 3-formyloxy-3-hydroxypropanoic acid?
The IUPAC name of 3-formyloxy-3-hydroxypropanoic acid (CID 58523990) is 3-formyloxy-3-hydroxypropanoic acid.
What is the SMILES notation for 3-formyloxy-3-hydroxypropanoic acid?
The canonical SMILES for 3-formyloxy-3-hydroxypropanoic acid is O=COC(O)CC(=O)O.
What is the InChIKey of 3-formyloxy-3-hydroxypropanoic acid?
The InChIKey is GOAHNOLMUHPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5/c5-2-9-4(8)1-3(6)7/h2,4,8H,1H2,(H,6,7).
What are the key properties of 3-formyloxy-3-hydroxypropanoic acid?
3-formyloxy-3-hydroxypropanoic acid has a molecular weight of 134.09 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyloxy-3-hydroxypropanoic acid is sourced from PubChem (CID 58523990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).