2-(2-methoxyethyl)butanedioic acid

C7H12O5 — CID 13255587

IUPAC2-(2-methoxyethyl)butanedioic acid
SMILESCOCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O5/c1-12-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyLUIBMDAIAODUEP-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.20
Rot. Bonds6

About 2-(2-methoxyethyl)butanedioic acid

2-(2-methoxyethyl)butanedioic acid (PubChem CID 13255587) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(2-methoxyethyl)butanedioic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)butanedioic acid
PubChem CID13255587
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name2-(2-methoxyethyl)butanedioic acid
SMILESCOCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O5/c1-12-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyLUIBMDAIAODUEP-UHFFFAOYSA-N
XLogP0.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
2-(2-but-2-enoyloxyethyl)butanedioic acid
CID 141431183
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
2-(2-trimethoxysilylethyl)butanedioic acid
CID 142550319
2-(3-methoxy-3-oxopropyl)butanedioic acid
CID 54112724
2-(2-methoxyethyl)-4-oxobutanoic acid
CID 141105257
4-methoxy-2-(methylaminomethyl)butanoic acid
CID 117236960
(2S)-2-propylbutanedioic acid
CID 12648185
6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
CID 174465837
hexane-1,2,5-tricarboxylic acid
CID 14251275
2-(2-methoxyethyl)-8-methylnonanoic acid
CID 134561525

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)butanedioic acid?
The IUPAC name of 2-(2-methoxyethyl)butanedioic acid (CID 13255587) is 2-(2-methoxyethyl)butanedioic acid.
What is the SMILES notation for 2-(2-methoxyethyl)butanedioic acid?
The canonical SMILES for 2-(2-methoxyethyl)butanedioic acid is COCCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-methoxyethyl)butanedioic acid?
The InChIKey is LUIBMDAIAODUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-12-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(2-methoxyethyl)butanedioic acid?
2-(2-methoxyethyl)butanedioic acid has a molecular weight of 176.17 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)butanedioic acid is sourced from PubChem (CID 13255587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).