(2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid

C11H16O6 — CID 10634025

IUPAC(2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid
SMILESCC(C)CC(=O)[C@@H]1O[C@@H](C(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C11H16O6/c1-5(2)3-7(12)9-6(10(13)14)4-8(17-9)11(15)16/h5-6,8-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t6-,8-,9-/m1/s1
InChIKeySYAWYFNSRHSROG-FTLITQJKSA-N
MW244.24 g/mol
LogP0.54
Rot. Bonds5

About (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid

(2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid (PubChem CID 10634025) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid
PubChem CID10634025
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid
SMILESCC(C)CC(=O)[C@@H]1O[C@@H](C(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C11H16O6/c1-5(2)3-7(12)9-6(10(13)14)4-8(17-9)11(15)16/h5-6,8-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t6-,8-,9-/m1/s1
InChIKeySYAWYFNSRHSROG-FTLITQJKSA-N
XLogP0.54
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid (CID 10634025) is (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid is CC(C)CC(=O)[C@@H]1O[C@@H](C(=O)O)C[C@H]1C(=O)O.
What is the InChIKey of (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid?
The InChIKey is SYAWYFNSRHSROG-FTLITQJKSA-N. The full InChI is InChI=1S/C11H16O6/c1-5(2)3-7(12)9-6(10(13)14)4-8(17-9)11(15)16/h5-6,8-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t6-,8-,9-/m1/s1.
What are the key properties of (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid?
(2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid has a molecular weight of 244.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-5-(3-methylbutanoyl)oxolane-2,4-dicarboxylic acid is sourced from PubChem (CID 10634025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).