N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide

C8H17N3O3 — CID 55208859

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

About N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide (PubChem CID 55208859) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
PubChem CID55208859
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide
SMILESCCC(C/C(N)=N/O)NC(=O)COC
InChIInChI=1S/C8H17N3O3/c1-3-6(4-7(9)11-13)10-8(12)5-14-2/h6,13H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyMSYPUTKGYSYJPJ-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'}

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Related Compounds

N-(1-amino-1-hydroxyiminopentan-3-yl)decanamide
CID 77069122
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-chlorophenoxy)acetamide
CID 76947849
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
CID 76953621
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-ethylhexanamide
CID 76947816
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide (CID 55208859) is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide is CCC(C/C(N)=N/O)NC(=O)COC.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-methoxyacetamide?
The InChIKey is MSYPUTKGYSYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-3-6(4-7(9)11-13)10-8(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-3-yl]-2-methoxyacetamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-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-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 55208859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).