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

C8H17N3O3 — CID 103022043

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-5(6(9)11-13)10-7(12)8(2,3)14-4/h5,13H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyAGHMTVJIZTVTMY-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.34
Rot. Bonds4

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

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103022043) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide
PubChem CID103022043
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC(C)C(N)=NO
InChIInChI=1S/C8H17N3O3/c1-5(6(9)11-13)10-7(12)8(2,3)14-4/h5,13H,1-4H3,(H2,9,11)(H,10,12)
InChIKeyAGHMTVJIZTVTMY-UHFFFAOYSA-N
XLogP-0.34
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide (CID 103022043) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is AGHMTVJIZTVTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(6(9)11-13)10-7(12)8(2,3)14-4/h5,13H,1-4H3,(H2,9,11)(H,10,12).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 203.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103022043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).