methyl 2-(2-acetylhydrazinyl)-2-oxoacetate

C5H8N2O4 — CID 88919258

IUPACmethyl 2-(2-acetylhydrazinyl)-2-oxoacetate
SMILESCOC(=O)C(=O)NNC(C)=O
InChIInChI=1S/C5H8N2O4/c1-3(8)6-7-4(9)5(10)11-2/h1-2H3,(H,6,8)(H,7,9)
InChIKeyIVWJNDCZRWPJSN-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.67
Rot. Bonds

About methyl 2-(2-acetylhydrazinyl)-2-oxoacetate

methyl 2-(2-acetylhydrazinyl)-2-oxoacetate (PubChem CID 88919258) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is methyl 2-(2-acetylhydrazinyl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(2-acetylhydrazinyl)-2-oxoacetate
PubChem CID88919258
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Namemethyl 2-(2-acetylhydrazinyl)-2-oxoacetate
SMILESCOC(=O)C(=O)NNC(C)=O
InChIInChI=1S/C5H8N2O4/c1-3(8)6-7-4(9)5(10)11-2/h1-2H3,(H,6,8)(H,7,9)
InChIKeyIVWJNDCZRWPJSN-UHFFFAOYSA-N
XLogP-1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl oxalate
CID 11120
dimethyl oxalate;hydrochloride
CID 172754902
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
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CID 87704486
CID 87704486
ethane;methyl 2-oxopropanoate
CID 142946473
dimethyl (Z)-2,3-bis(sulfanyl)but-2-enedioate
CID 6914047
methyl 2-oxopropanoate;hydrate
CID 172759960
methyl 2,3-diiodobut-2-enoate
CID 71366810
(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
CID 172959290
methyl 2-oxo-2-(3-oxobutan-2-ylamino)acetate
CID 54325209
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
methyl acetate;ruthenium
CID 160799101

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetylhydrazinyl)-2-oxoacetate?
The IUPAC name of methyl 2-(2-acetylhydrazinyl)-2-oxoacetate (CID 88919258) is methyl 2-(2-acetylhydrazinyl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(2-acetylhydrazinyl)-2-oxoacetate?
The canonical SMILES for methyl 2-(2-acetylhydrazinyl)-2-oxoacetate is COC(=O)C(=O)NNC(C)=O.
What is the InChIKey of methyl 2-(2-acetylhydrazinyl)-2-oxoacetate?
The InChIKey is IVWJNDCZRWPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-3(8)6-7-4(9)5(10)11-2/h1-2H3,(H,6,8)(H,7,9).
What are the key properties of methyl 2-(2-acetylhydrazinyl)-2-oxoacetate?
methyl 2-(2-acetylhydrazinyl)-2-oxoacetate has a molecular weight of 160.13 g/mol, XLogP of -1.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetylhydrazinyl)-2-oxoacetate is sourced from PubChem (CID 88919258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).