N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide

C8H17N3O3 — CID 61278794

IUPACN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide
SMILESCCC(C)(NC(=O)COC)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-4-8(2,7(9)11-13)10-6(12)5-14-3/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyKWUYQMXAAWBOIB-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.34
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide

N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide (PubChem CID 61278794) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide
PubChem CID61278794
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide
SMILESCCC(C)(NC(=O)COC)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-4-8(2,7(9)11-13)10-6(12)5-14-3/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyKWUYQMXAAWBOIB-UHFFFAOYSA-N
XLogP-0.34
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide (CID 61278794) is N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide is CCC(C)(NC(=O)COC)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide?
The InChIKey is KWUYQMXAAWBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-4-8(2,7(9)11-13)10-6(12)5-14-3/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide?
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methoxyacetamide is sourced from PubChem (CID 61278794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).