2-(methoxymethyl)-4-oxopentanedioic acid

C7H10O6 — CID 15097822

IUPAC2-(methoxymethyl)-4-oxopentanedioic acid
SMILESCOCC(CC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C7H10O6/c1-13-3-4(6(9)10)2-5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyRTRAMNUAABQRPD-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.62
Rot. Bonds6

About 2-(methoxymethyl)-4-oxopentanedioic acid

2-(methoxymethyl)-4-oxopentanedioic acid (PubChem CID 15097822) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-oxopentanedioic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-oxopentanedioic acid
PubChem CID15097822
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2-(methoxymethyl)-4-oxopentanedioic acid
SMILESCOCC(CC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C7H10O6/c1-13-3-4(6(9)10)2-5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyRTRAMNUAABQRPD-UHFFFAOYSA-N
XLogP-0.62
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-2-oxoethyl)-4-oxopentanedioic acid
CID 44568199
2-(3-methylbutyl)-4-oxopentanedioic acid
CID 11615539
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
2-(methoxymethyl)hex-5-enoic acid
CID 146545630
2-(2-methoxyethyl)butanedioic acid
CID 13255587
4-methoxy-2-oxohexanoic acid
CID 87467117
4,4-dicyclopentyl-2-(methoxymethyl)butanoic acid
CID 151921122
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-(methoxymethyl)non-8-enoic acid
CID 90389869
2-(methoxymethyl)pentanoate
CID 19753396
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-oxopentanedioic acid?
The IUPAC name of 2-(methoxymethyl)-4-oxopentanedioic acid (CID 15097822) is 2-(methoxymethyl)-4-oxopentanedioic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-oxopentanedioic acid?
The canonical SMILES for 2-(methoxymethyl)-4-oxopentanedioic acid is COCC(CC(=O)C(=O)O)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-4-oxopentanedioic acid?
The InChIKey is RTRAMNUAABQRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-13-3-4(6(9)10)2-5(8)7(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(methoxymethyl)-4-oxopentanedioic acid?
2-(methoxymethyl)-4-oxopentanedioic acid has a molecular weight of 190.15 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-oxopentanedioic acid is sourced from PubChem (CID 15097822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).