2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid

C3H2O6 — CID 140991013

IUPAC2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid
SMILESO=C1OC(O)(C(=O)O)O1
InChIInChI=1S/C3H2O6/c4-1(5)3(7)8-2(6)9-3/h7H,(H,4,5)
InChIKeyPAMXUKGOXDITLB-UHFFFAOYSA-N
MW134.04 g/mol
LogP-1.12
Rot. Bonds1

About 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid

2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid (PubChem CID 140991013) has the molecular formula C3H2O6 and a molecular weight of 134.04 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid
PubChem CID140991013
Molecular FormulaC3H2O6
Molecular Weight134.04 g/mol
Exact Mass133.99
IUPAC Name2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid
SMILESO=C1OC(O)(C(=O)O)O1
InChIInChI=1S/C3H2O6/c4-1(5)3(7)8-2(6)9-3/h7H,(H,4,5)
InChIKeyPAMXUKGOXDITLB-UHFFFAOYSA-N
XLogP-1.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.04
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid
CID 145410346
(2R,3S,4S)-3-hydroxy-2,3,4-trimethyl-5-oxooxolane-2-carboxylic acid
CID 162933705
calcium (2-carboxylatooxy-4-oxo-1,3-dioxetan-2-yl) carbonate
CID 134691335
(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
CID 45084685
2-(chloromethyl)-4-oxooxetane-2-carboxylic acid
CID 55298280
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506
carbonic acid;cyclobutane;1,3-dioxetane-2,4-dione
CID 23196678
3-cyclopropyl-5-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115065255
4-acetyl-2-hydroxy-2,5-dimethylfuran-3-one
CID 102025742
3-hydroxyoxetane-3-carboxylic acid
CID 84647752
oxalic acid;pyrrolidine-2,5-dione
CID 19913999
2,4-dimethyl-5-oxo-1,3-oxathiolane-2-carboxylic acid
CID 23262139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid?
The IUPAC name of 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid (CID 140991013) is 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid is O=C1OC(O)(C(=O)O)O1.
What is the InChIKey of 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid?
The InChIKey is PAMXUKGOXDITLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O6/c4-1(5)3(7)8-2(6)9-3/h7H,(H,4,5).
What are the key properties of 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid?
2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid has a molecular weight of 134.04 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid is sourced from PubChem (CID 140991013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).