2-(1,2-dicarboxyethoxy)butanedioic acid

C8H10O9 — CID 23887

IUPAC2-(1,2-dicarboxyethoxy)butanedioic acid
SMILESO=C(O)CC(OC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyCFPOJWPDQWJEMO-UHFFFAOYSA-N
MW250.16 g/mol
LogP-1.14
Rot. Bonds8

About 2-(1,2-dicarboxyethoxy)butanedioic acid

2-(1,2-dicarboxyethoxy)butanedioic acid (PubChem CID 23887) has the molecular formula C8H10O9 and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-(1,2-dicarboxyethoxy)butanedioic acid.

Molecular Properties

Compound Name2-(1,2-dicarboxyethoxy)butanedioic acid
PubChem CID23887
Molecular FormulaC8H10O9
Molecular Weight250.16 g/mol
Exact Mass250.03
IUPAC Name2-(1,2-dicarboxyethoxy)butanedioic acid
SMILESO=C(O)CC(OC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyCFPOJWPDQWJEMO-UHFFFAOYSA-N
XLogP-1.14
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dicarboxyethoxy)butanedioic acid?
The IUPAC name of 2-(1,2-dicarboxyethoxy)butanedioic acid (CID 23887) is 2-(1,2-dicarboxyethoxy)butanedioic acid.
What is the SMILES notation for 2-(1,2-dicarboxyethoxy)butanedioic acid?
The canonical SMILES for 2-(1,2-dicarboxyethoxy)butanedioic acid is O=C(O)CC(OC(CC(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1,2-dicarboxyethoxy)butanedioic acid?
The InChIKey is CFPOJWPDQWJEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-(1,2-dicarboxyethoxy)butanedioic acid?
2-(1,2-dicarboxyethoxy)butanedioic acid has a molecular weight of 250.16 g/mol, XLogP of -1.14, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dicarboxyethoxy)butanedioic acid is sourced from PubChem (CID 23887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).