2-(2-deuterioethoxy)butanedioic acid

C6H10O5 — CID 175726030

IUPAC2-(2-deuterioethoxy)butanedioic acid
SMILES[2H]CCOC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-11-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/i1D
InChIKeyGDXKLPSQGLQURU-MICDWDOJSA-N
MW163.15 g/mol
LogP-0.05
Rot. Bonds6

About 2-(2-deuterioethoxy)butanedioic acid

2-(2-deuterioethoxy)butanedioic acid (PubChem CID 175726030) has the molecular formula C6H10O5 and a molecular weight of 163.15 g/mol. Its IUPAC name is 2-(2-deuterioethoxy)butanedioic acid.

Molecular Properties

Compound Name2-(2-deuterioethoxy)butanedioic acid
PubChem CID175726030
Molecular FormulaC6H10O5
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name2-(2-deuterioethoxy)butanedioic acid
SMILES[2H]CCOC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-11-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/i1D
InChIKeyGDXKLPSQGLQURU-MICDWDOJSA-N
XLogP-0.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxybutanedioic acid
CID 101245963
2-ethoxybutanedioic acid;propane-1,2-diol
CID 87565430
2-(2,2-diethoxyethoxy)butanedioic acid
CID 150684486
CID 159903683
CID 159903683
2-(aminomethoxy)butanedioic acid
CID 174248592
trisodium;2-(carboxymethoxy)butanedioic acid;hydride
CID 173014091
2-[2-[2-(1,2-dicarboxyethoxy)ethyl-methylamino]ethoxy]butanedioic acid
CID 18506229
2-nonadecoxybutanedioic acid
CID 122611322
2-(1-carboxyethoxy)butanedioic acid
CID 18176039
2-acetyloxybutanedioic acid;ethane
CID 90962940
propane-1,2-diol;2-propoxybutanedioic acid
CID 87565394
2-triethoxysilyloxybutanedioic acid
CID 10957429

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuterioethoxy)butanedioic acid?
The IUPAC name of 2-(2-deuterioethoxy)butanedioic acid (CID 175726030) is 2-(2-deuterioethoxy)butanedioic acid.
What is the SMILES notation for 2-(2-deuterioethoxy)butanedioic acid?
The canonical SMILES for 2-(2-deuterioethoxy)butanedioic acid is [2H]CCOC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-deuterioethoxy)butanedioic acid?
The InChIKey is GDXKLPSQGLQURU-MICDWDOJSA-N. The full InChI is InChI=1S/C6H10O5/c1-2-11-4(6(9)10)3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/i1D.
What are the key properties of 2-(2-deuterioethoxy)butanedioic acid?
2-(2-deuterioethoxy)butanedioic acid has a molecular weight of 163.15 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuterioethoxy)butanedioic acid is sourced from PubChem (CID 175726030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).