methoxycarbamoyl acetate

C4H7NO4 — CID 162136084

IUPACmethoxycarbamoyl acetate
SMILESCONC(=O)OC(C)=O
InChIInChI=1S/C4H7NO4/c1-3(6)9-4(7)5-8-2/h1-2H3,(H,5,7)
InChIKeyZJHQATRZWDKWDD-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.18
Rot. Bonds1

About methoxycarbamoyl acetate

methoxycarbamoyl acetate (PubChem CID 162136084) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is methoxycarbamoyl acetate.

Molecular Properties

Compound Namemethoxycarbamoyl acetate
PubChem CID162136084
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Namemethoxycarbamoyl acetate
SMILESCONC(=O)OC(C)=O
InChIInChI=1S/C4H7NO4/c1-3(6)9-4(7)5-8-2/h1-2H3,(H,5,7)
InChIKeyZJHQATRZWDKWDD-UHFFFAOYSA-N
XLogP-0.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydrazinecarbonyl acetate
CID 129117292
hydroxycarbamoyl acetate
CID 15549261
methyl acetate;ruthenium
CID 160799101
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
acetyl acetate;chromium(2+)
CID 19978523
copper;methyl acetate
CID 174340034
methyl acetate;titanium
CID 87665287
CID 160689228
CID 160689228
bismuthane;methyl acetate
CID 174537209
argon;methyl acetate
CID 169424774
methane;methyl acetate
CID 162094565
acetyl acetate;hydrochloride
CID 87138027

Frequently Asked Questions

What is the IUPAC name of methoxycarbamoyl acetate?
The IUPAC name of methoxycarbamoyl acetate (CID 162136084) is methoxycarbamoyl acetate.
What is the SMILES notation for methoxycarbamoyl acetate?
The canonical SMILES for methoxycarbamoyl acetate is CONC(=O)OC(C)=O.
What is the InChIKey of methoxycarbamoyl acetate?
The InChIKey is ZJHQATRZWDKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c1-3(6)9-4(7)5-8-2/h1-2H3,(H,5,7).
What are the key properties of methoxycarbamoyl acetate?
methoxycarbamoyl acetate has a molecular weight of 133.10 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbamoyl acetate is sourced from PubChem (CID 162136084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).