methoxymethanetricarboxylic acid

C5H6O7 — CID 18424768

IUPACmethoxymethanetricarboxylic acid
SMILESCOC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C5H6O7/c1-12-5(2(6)7,3(8)9)4(10)11/h1H3,(H,6,7)(H,8,9)(H,10,11)
InChIKeyYDMBEWAVMNHSAA-UHFFFAOYSA-N
MW178.10 g/mol
LogP-1.37
Rot. Bonds4

About methoxymethanetricarboxylic acid

methoxymethanetricarboxylic acid (PubChem CID 18424768) has the molecular formula C5H6O7 and a molecular weight of 178.10 g/mol. Its IUPAC name is methoxymethanetricarboxylic acid.

Molecular Properties

Compound Namemethoxymethanetricarboxylic acid
PubChem CID18424768
Molecular FormulaC5H6O7
Molecular Weight178.10 g/mol
Exact Mass178.01
IUPAC Namemethoxymethanetricarboxylic acid
SMILESCOC(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C5H6O7/c1-12-5(2(6)7,3(8)9)4(10)11/h1H3,(H,6,7)(H,8,9)(H,10,11)
InChIKeyYDMBEWAVMNHSAA-UHFFFAOYSA-N
XLogP-1.37
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid
CID 173435431
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
bis(tricarboxymethoxy)phosphoryloxymethanetricarboxylic acid
CID 146635454
2-fluoro-2-methoxy-3-methylbutanoic acid
CID 89358566
2-methoxy-2-methylbut-3-enoic acid
CID 164724816
2,2,3-trimethoxybutanoic acid
CID 175415253
2,2-dimethylpropanoic acid
CID 87781698
2-acetyl-3-oxo-2-propan-2-yloxybutanoic acid;alumane
CID 175090466
ethane;2-fluoro-2-methoxy-3-methylbutanoic acid
CID 143459080
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
4-(methoxyamino)benzoic acid
CID 58668568
(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid
CID 87241640

Frequently Asked Questions

What is the IUPAC name of methoxymethanetricarboxylic acid?
The IUPAC name of methoxymethanetricarboxylic acid (CID 18424768) is methoxymethanetricarboxylic acid.
What is the SMILES notation for methoxymethanetricarboxylic acid?
The canonical SMILES for methoxymethanetricarboxylic acid is COC(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of methoxymethanetricarboxylic acid?
The InChIKey is YDMBEWAVMNHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O7/c1-12-5(2(6)7,3(8)9)4(10)11/h1H3,(H,6,7)(H,8,9)(H,10,11).
What are the key properties of methoxymethanetricarboxylic acid?
methoxymethanetricarboxylic acid has a molecular weight of 178.10 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethanetricarboxylic acid is sourced from PubChem (CID 18424768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).