diethyl 2-hydroxybutanedioate

C8H14O5 — CID 24197

IUPACdiethyl 2-hydroxybutanedioate
SMILESCCOC(=O)CC(O)C(=O)OCC
InChIInChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
InChIKeyVKNUORWMCINMRB-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.14
Rot. Bonds5

About diethyl 2-hydroxybutanedioate

diethyl 2-hydroxybutanedioate (PubChem CID 24197) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is diethyl 2-hydroxybutanedioate.

Molecular Properties

Compound Namediethyl 2-hydroxybutanedioate
PubChem CID24197
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namediethyl 2-hydroxybutanedioate
SMILESCCOC(=O)CC(O)C(=O)OCC
InChIInChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
InChIKeyVKNUORWMCINMRB-UHFFFAOYSA-N
XLogP-0.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze diethyl 2-hydroxybutanedioate with MolForge

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

Launch Full Analysis

Related Compounds

L-Tartaric acid
CID 444305
Malic Acid
CID 525
L-Malic Acid
CID 222656
D-Tartaric acid
CID 439655
L-Threonic Acid
CID 5460407
2,3-Dihydroxybutanedioic Acid
CID 875
D-Malic acid
CID 92824
Meso-Tartaric acid
CID 447315
Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Diethyl tartrate
CID 6993580
Erythronic acid
CID 2781043
Butanedioic acid, 2,3-dihydroxy-, ion(2-), (2R,3S)-rel-
CID 201434

Frequently Asked Questions

What is the IUPAC name of diethyl 2-hydroxybutanedioate?
The IUPAC name of diethyl 2-hydroxybutanedioate (CID 24197) is diethyl 2-hydroxybutanedioate.
What is the SMILES notation for diethyl 2-hydroxybutanedioate?
The canonical SMILES for diethyl 2-hydroxybutanedioate is CCOC(=O)CC(O)C(=O)OCC.
What is the InChIKey of diethyl 2-hydroxybutanedioate?
The InChIKey is VKNUORWMCINMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3.
What are the key properties of diethyl 2-hydroxybutanedioate?
diethyl 2-hydroxybutanedioate has a molecular weight of 190.19 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-hydroxybutanedioate is sourced from PubChem (CID 24197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).