2-(methoxymethyl)butanedioic acid

C6H10O5 — CID 4156264

IUPAC2-(methoxymethyl)butanedioic acid
SMILESCOCC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-11-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyJRMIGLUYIVIFAU-UHFFFAOYSA-N
MW162.14 g/mol
LogP-0.19
Rot. Bonds5

About 2-(methoxymethyl)butanedioic acid

2-(methoxymethyl)butanedioic acid (PubChem CID 4156264) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-(methoxymethyl)butanedioic acid.

Molecular Properties

Compound Name2-(methoxymethyl)butanedioic acid
PubChem CID4156264
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-(methoxymethyl)butanedioic acid
SMILESCOCC(CC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-11-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyJRMIGLUYIVIFAU-UHFFFAOYSA-N
XLogP-0.19
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)butanedioic acid?
The IUPAC name of 2-(methoxymethyl)butanedioic acid (CID 4156264) is 2-(methoxymethyl)butanedioic acid.
What is the SMILES notation for 2-(methoxymethyl)butanedioic acid?
The canonical SMILES for 2-(methoxymethyl)butanedioic acid is COCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)butanedioic acid?
The InChIKey is JRMIGLUYIVIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-11-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(methoxymethyl)butanedioic acid?
2-(methoxymethyl)butanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)butanedioic acid is sourced from PubChem (CID 4156264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).