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

C7H15N3O3 — CID 61278176

IUPACN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide
SMILESCCC(NC(=O)COC)/C(N)=N/O
InChIInChI=1S/C7H15N3O3/c1-3-5(7(8)10-12)9-6(11)4-13-2/h5,12H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyBKXQDKBUKRNCJP-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.73
Rot. Bonds5

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

N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide (PubChem CID 61278176) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide
PubChem CID61278176
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide
SMILESCCC(NC(=O)COC)/C(N)=N/O
InChIInChI=1S/C7H15N3O3/c1-3-5(7(8)10-12)9-6(11)4-13-2/h5,12H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyBKXQDKBUKRNCJP-UHFFFAOYSA-N
XLogP-0.73
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.73
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-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide (CID 61278176) is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide is CCC(NC(=O)COC)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide?
The InChIKey is BKXQDKBUKRNCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-3-5(7(8)10-12)9-6(11)4-13-2/h5,12H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide?
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-methoxyacetamide has a molecular weight of 189.21 g/mol, XLogP of -0.73, 5 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-hydroxyiminobutan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 61278176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).