(2R)-2-(oxan-4-yl)butanedioic acid

C9H14O5 — CID 129389221

IUPAC(2R)-2-(oxan-4-yl)butanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)C1CCOCC1
InChIInChI=1S/C9H14O5/c10-8(11)5-7(9(12)13)6-1-3-14-4-2-6/h6-7H,1-5H2,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyIAHMSIHNSSJXDQ-SSDOTTSWSA-N
MW202.21 g/mol
LogP0.59
Rot. Bonds4

About (2R)-2-(oxan-4-yl)butanedioic acid

(2R)-2-(oxan-4-yl)butanedioic acid (PubChem CID 129389221) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2R)-2-(oxan-4-yl)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(oxan-4-yl)butanedioic acid
PubChem CID129389221
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name(2R)-2-(oxan-4-yl)butanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)C1CCOCC1
InChIInChI=1S/C9H14O5/c10-8(11)5-7(9(12)13)6-1-3-14-4-2-6/h6-7H,1-5H2,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyIAHMSIHNSSJXDQ-SSDOTTSWSA-N
XLogP0.59
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(oxan-4-yl)butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxan-4-yl)butanedioic acid?
The IUPAC name of (2R)-2-(oxan-4-yl)butanedioic acid (CID 129389221) is (2R)-2-(oxan-4-yl)butanedioic acid.
What is the SMILES notation for (2R)-2-(oxan-4-yl)butanedioic acid?
The canonical SMILES for (2R)-2-(oxan-4-yl)butanedioic acid is O=C(O)C[C@@H](C(=O)O)C1CCOCC1.
What is the InChIKey of (2R)-2-(oxan-4-yl)butanedioic acid?
The InChIKey is IAHMSIHNSSJXDQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O5/c10-8(11)5-7(9(12)13)6-1-3-14-4-2-6/h6-7H,1-5H2,(H,10,11)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(oxan-4-yl)butanedioic acid?
(2R)-2-(oxan-4-yl)butanedioic acid has a molecular weight of 202.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxan-4-yl)butanedioic acid is sourced from PubChem (CID 129389221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).