N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide

C9H19N3O3 — CID 103022045

IUPACN-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(C)OC)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-5-6(7(10)12-14)11-8(13)9(2,3)15-4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyUBSFUSHXKBCHBE-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.05
Rot. Bonds5

About N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide

N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103022045) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide
PubChem CID103022045
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(C)OC)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-5-6(7(10)12-14)11-8(13)9(2,3)15-4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyUBSFUSHXKBCHBE-UHFFFAOYSA-N
XLogP0.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.05
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide (CID 103022045) is N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide is CCC(NC(=O)C(C)(C)OC)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is UBSFUSHXKBCHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-5-6(7(10)12-14)11-8(13)9(2,3)15-4/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide?
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 0.05, 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-hydroxyiminobutan-2-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103022045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).