(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid

C6H8O4 — CID 6951610

IUPAC(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
SMILESC[C@H]1C(=O)OC[C@@H]1C(=O)O
InChIInChI=1S/C6H8O4/c1-3-4(5(7)8)2-10-6(3)9/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChIKeyWXUISPWOIMGQAO-DMTCNVIQSA-N
MW144.13 g/mol
LogP-0.12
Rot. Bonds1

About (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid

(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid (PubChem CID 6951610) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
PubChem CID6951610
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid
SMILESC[C@H]1C(=O)OC[C@@H]1C(=O)O
InChIInChI=1S/C6H8O4/c1-3-4(5(7)8)2-10-6(3)9/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChIKeyWXUISPWOIMGQAO-DMTCNVIQSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid (CID 6951610) is (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid is C[C@H]1C(=O)OC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid?
The InChIKey is WXUISPWOIMGQAO-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-4(5(7)8)2-10-6(3)9/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid?
(3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 6951610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).