(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid

C6H8O4 — CID 129375031

IUPAC(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)C(=O)O1
InChIInChI=1S/C6H8O4/c1-3-2-4(5(7)8)6(9)10-3/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyIDQXNIBOTPWGCF-QWWZWVQMSA-N
MW144.13 g/mol
LogP0.02
Rot. Bonds1

About (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid

(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid (PubChem CID 129375031) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid
PubChem CID129375031
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)C(=O)O1
InChIInChI=1S/C6H8O4/c1-3-2-4(5(7)8)6(9)10-3/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1
InChIKeyIDQXNIBOTPWGCF-QWWZWVQMSA-N
XLogP0.02
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-(2-methylpropanoyl)oxolan-2-one
CID 134895477
3-ethanethioyl-5-methyloxolan-2-one
CID 134985857
5-methyl-3-(3-phenylprop-2-enoyl)oxolan-2-one
CID 150133301
(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
(5S)-5-(acetyloxymethyl)-2-oxooxolane-3-carboxylic acid
CID 10856544
2-oxo-5-pentyloxolane-3-carboxylic acid
CID 131751115
(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
CID 70587872
ethane;5-(methylamino)-2,6-dioxooxane-3-carboxylic acid
CID 168928114
(3R,5R)-5-methyl-3-methylsulfanyloxolan-2-one
CID 10877260
5-methyl-3-propan-2-yloxolan-2-one
CID 29717
5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide
CID 166309149
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
CID 7159230

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid?
The IUPAC name of (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid (CID 129375031) is (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid?
The canonical SMILES for (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid is C[C@@H]1C[C@H](C(=O)O)C(=O)O1.
What is the InChIKey of (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid?
The InChIKey is IDQXNIBOTPWGCF-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-2-4(5(7)8)6(9)10-3/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid?
(3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-2-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 129375031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).