2,3-bis(2-hydroxyethoxy)butanedioic acid

C8H14O8 — CID 174652716

IUPAC2,3-bis(2-hydroxyethoxy)butanedioic acid
SMILESO=C(O)C(OCCO)C(OCCO)C(=O)O
InChIInChI=1S/C8H14O8/c9-1-3-15-5(7(11)12)6(8(13)14)16-4-2-10/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyNXLBBCWGVHSEGQ-UHFFFAOYSA-N
MW238.19 g/mol
LogP-2.09
Rot. Bonds9

About 2,3-bis(2-hydroxyethoxy)butanedioic acid

2,3-bis(2-hydroxyethoxy)butanedioic acid (PubChem CID 174652716) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2,3-bis(2-hydroxyethoxy)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(2-hydroxyethoxy)butanedioic acid
PubChem CID174652716
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Name2,3-bis(2-hydroxyethoxy)butanedioic acid
SMILESO=C(O)C(OCCO)C(OCCO)C(=O)O
InChIInChI=1S/C8H14O8/c9-1-3-15-5(7(11)12)6(8(13)14)16-4-2-10/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyNXLBBCWGVHSEGQ-UHFFFAOYSA-N
XLogP-2.09
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,3-bis(2-hydroxyethoxy)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

Related Compounds

2-[carboxy(2-hydroxyethoxy)methoxy]-2-(2-hydroxyethoxy)acetic acid
CID 118435325
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
2,4-dihydroxy-3-(2-hydroxyethoxy)butanoic acid
CID 21325453
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097
3-(2-hydroxyethoxy)pentanedioic acid
CID 87839314
2,3-bis(2,3-dihydroxypropoxy)butanedioic acid
CID 174626088
2,2-dichloroacetic acid;2-(2-hydroxyethoxy)ethanol
CID 87519110
2-(2-hydroxyethoxy)-4-methylsulfanylbutanoic acid
CID 83224720
(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
2-bromo-2-(2-hydroxyethoxy)acetamide
CID 175386599
2-(2-hydroxyethoxy)propanoate
CID 19884519
2-butoxy-3-hydroxybutanoic acid
CID 57027353

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-hydroxyethoxy)butanedioic acid?
The IUPAC name of 2,3-bis(2-hydroxyethoxy)butanedioic acid (CID 174652716) is 2,3-bis(2-hydroxyethoxy)butanedioic acid.
What is the SMILES notation for 2,3-bis(2-hydroxyethoxy)butanedioic acid?
The canonical SMILES for 2,3-bis(2-hydroxyethoxy)butanedioic acid is O=C(O)C(OCCO)C(OCCO)C(=O)O.
What is the InChIKey of 2,3-bis(2-hydroxyethoxy)butanedioic acid?
The InChIKey is NXLBBCWGVHSEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O8/c9-1-3-15-5(7(11)12)6(8(13)14)16-4-2-10/h5-6,9-10H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2,3-bis(2-hydroxyethoxy)butanedioic acid?
2,3-bis(2-hydroxyethoxy)butanedioic acid has a molecular weight of 238.19 g/mol, XLogP of -2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-hydroxyethoxy)butanedioic acid is sourced from PubChem (CID 174652716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).