methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate

C6H10N2O5 — CID 174476888

IUPACmethyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate
SMILESCOC(=O)C(CC(N)=O)C(=O)NO
InChIInChI=1S/C6H10N2O5/c1-13-6(11)3(2-4(7)9)5(10)8-12/h3,12H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyWJMNVEKGYLGROU-UHFFFAOYSA-N
MW190.15 g/mol
LogP-1.84
Rot. Bonds4

About methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate

methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate (PubChem CID 174476888) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate
PubChem CID174476888
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Namemethyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate
SMILESCOC(=O)C(CC(N)=O)C(=O)NO
InChIInChI=1S/C6H10N2O5/c1-13-6(11)3(2-4(7)9)5(10)8-12/h3,12H,2H2,1H3,(H2,7,9)(H,8,10)
InChIKeyWJMNVEKGYLGROU-UHFFFAOYSA-N
XLogP-1.84
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(ethylamino)-N-hydroxybutanediamide
CID 89478149
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
CID 174668747
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
CID 124671422
dimethyl 2-[(E)-2-methylbut-2-enyl]propanedioate
CID 12754391
dimethyl (2R,4R)-2,4-diacetylpentanedioate
CID 131845070
2-ethyl-N-methylbutanediamide
CID 89267144
dimethyl 2-(2-methylpropanoyl)butanedioate
CID 45382056
dimethyl 2-(2-methylidene-3-oxobutyl)propanedioate
CID 12813381
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
3-methoxy-3-silylpropanamide
CID 174828342
3-[[amino-(hydroxyamino)methylidene]amino]butanamide
CID 104870512

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate?
The IUPAC name of methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate (CID 174476888) is methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate?
The canonical SMILES for methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate is COC(=O)C(CC(N)=O)C(=O)NO.
What is the InChIKey of methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate?
The InChIKey is WJMNVEKGYLGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c1-13-6(11)3(2-4(7)9)5(10)8-12/h3,12H,2H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate?
methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate has a molecular weight of 190.15 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate is sourced from PubChem (CID 174476888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).