5-oxooxolane-3-carboxylic acid

C5H6O4 — CID 11051676

IUPAC5-oxooxolane-3-carboxylic acid
SMILESO=C1CC(C(=O)O)CO1
InChIInChI=1S/C5H6O4/c6-4-1-3(2-9-4)5(7)8/h3H,1-2H2,(H,7,8)
InChIKeyONSWFYLALGXCIQ-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.37
Rot. Bonds1

About 5-oxooxolane-3-carboxylic acid

5-oxooxolane-3-carboxylic acid (PubChem CID 11051676) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name5-oxooxolane-3-carboxylic acid
PubChem CID11051676
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name5-oxooxolane-3-carboxylic acid
SMILESO=C1CC(C(=O)O)CO1
InChIInChI=1S/C5H6O4/c6-4-1-3(2-9-4)5(7)8/h3H,1-2H2,(H,7,8)
InChIKeyONSWFYLALGXCIQ-UHFFFAOYSA-N
XLogP-0.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxooxolane-3-carboxylic acid
CID 315162
(R)-Tetrahydro-3-furoic acid
CID 4661317
4-(Hydroxymethyl)oxolan-2-one
CID 9964081
3-(Hydroxymethyl)oxolan-2-one
CID 12664700
Ethyl 5-oxooxolane-3-carboxylate
CID 21586084
(3S)-oxolane-3-carboxylic acid
CID 40784874
3-Methyl-5-oxooxolane-3-carboxylic acid
CID 55303439
rac-(3R,4R)-4-methyloxolane-3-carboxylic acid
CID 154722822
2-(Methoxymethyl)succinic acid
CID 4156264
3-Fluorooxolane-3-carboxylic acid
CID 84020609
Hydroxymethylsuccinic acid
CID 12304521
4-Fluorooxolane-3-carboxylic acid
CID 83478822

Frequently Asked Questions

What is the IUPAC name of 5-oxooxolane-3-carboxylic acid?
The IUPAC name of 5-oxooxolane-3-carboxylic acid (CID 11051676) is 5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for 5-oxooxolane-3-carboxylic acid?
The canonical SMILES for 5-oxooxolane-3-carboxylic acid is O=C1CC(C(=O)O)CO1.
What is the InChIKey of 5-oxooxolane-3-carboxylic acid?
The InChIKey is ONSWFYLALGXCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c6-4-1-3(2-9-4)5(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of 5-oxooxolane-3-carboxylic acid?
5-oxooxolane-3-carboxylic acid has a molecular weight of 130.10 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 11051676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).