2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid

C8H10O9 — CID 132935836

IUPAC2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)C(OCC(=O)OCC(=O)O)C(=O)O
InChIInChI=1S/C8H10O9/c1-15-8(14)6(7(12)13)17-3-5(11)16-2-4(9)10/h6H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyBFWKFLJTQXBESJ-UHFFFAOYSA-N
MW250.16 g/mol
LogP-1.74
Rot. Bonds7

About 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid

2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid (PubChem CID 132935836) has the molecular formula C8H10O9 and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid
PubChem CID132935836
Molecular FormulaC8H10O9
Molecular Weight250.16 g/mol
Exact Mass250.03
IUPAC Name2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid
SMILESCOC(=O)C(OCC(=O)OCC(=O)O)C(=O)O
InChIInChI=1S/C8H10O9/c1-15-8(14)6(7(12)13)17-3-5(11)16-2-4(9)10/h6H,2-3H2,1H3,(H,9,10)(H,12,13)
InChIKeyBFWKFLJTQXBESJ-UHFFFAOYSA-N
XLogP-1.74
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxypropanoyloxy)acetyl]oxyacetic acid
CID 59117352
dimethyl 2-methoxycarbonyloxypropanedioate
CID 88550478
3-O-benzyl 1-O-methyl (2S)-2-[2-[2-oxo-2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]ethoxy]propanedioate
CID 125121025
disodium;hydride;2-(2-hydroxyacetyl)oxyacetic acid
CID 173165496
methyl (2S)-2-acetyloxy-2-(2-ethoxy-2-oxoethoxy)acetate
CID 101037713
2-[2-[2-(carboxymethylperoxy)ethoxymethoxy]acetyl]oxyacetic acid
CID 20764466
dimethyl 2-(2,2,2-trifluoroethoxy)propanedioate
CID 146296842
2-[[2-(carboxymethoxy)-2-oxoethyl]-methylamino]acetic acid
CID 10307945
acetic acid;methyl 2,2-diaminoacetate
CID 175261115
bis(2-acetyloxyacetic acid);palladium
CID 156697217
2-[hydroxy(methoxy)methoxy]acetic acid
CID 88732358
carboxymethoxy-dihydroxy-methoxyphosphanium
CID 46905067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid?
The IUPAC name of 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid (CID 132935836) is 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid is COC(=O)C(OCC(=O)OCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid?
The InChIKey is BFWKFLJTQXBESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O9/c1-15-8(14)6(7(12)13)17-3-5(11)16-2-4(9)10/h6H,2-3H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid?
2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid has a molecular weight of 250.16 g/mol, XLogP of -1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)-2-oxoethoxy]-3-methoxy-3-oxopropanoic acid is sourced from PubChem (CID 132935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).