N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide

C8H17N3O3 — CID 61278177

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide
SMILESCCCC(NC(=O)COC)/C(N)=N/O
InChIInChI=1S/C8H17N3O3/c1-3-4-6(8(9)11-13)10-7(12)5-14-2/h6,13H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyHOJBOHNVJDDYIL-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.34
Rot. Bonds6

About N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide (PubChem CID 61278177) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide
PubChem CID61278177
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide
SMILESCCCC(NC(=O)COC)/C(N)=N/O
InChIInChI=1S/C8H17N3O3/c1-3-4-6(8(9)11-13)10-7(12)5-14-2/h6,13H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyHOJBOHNVJDDYIL-UHFFFAOYSA-N
XLogP-0.34
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-[(1Z)-1-amino-1-hydroxyiminopentan-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

Related Compounds

N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211495
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211498
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211584
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211625
N-(5-amino-5-hydroxyiminopentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788746
2-[(E)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide
CID 47084530
2-[(Z)-(1-amino-3-methoxypropylidene)amino]oxy-N-pentan-3-ylacetamide
CID 52495876
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
CID 55208859
N-[1-[(2Z)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-2-ethoxyacetamide
CID 55249621
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 61277975
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide
CID 61277976
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide
CID 61278176

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide (CID 61278177) is N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide is CCCC(NC(=O)COC)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide?
The InChIKey is HOJBOHNVJDDYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-3-4-6(8(9)11-13)10-7(12)5-14-2/h6,13H,3-5H2,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 61278177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).