3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide

C9H19N3O2 — CID 76925867

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-5-9(3,4)11-8(13)6(2)7(10)12-14/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyKAMCSQXEJHGBCF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.67
Rot. Bonds4

About 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 76925867) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID76925867
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-5-9(3,4)11-8(13)6(2)7(10)12-14/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13)
InChIKeyKAMCSQXEJHGBCF-UHFFFAOYSA-N
XLogP0.67
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide (CID 76925867) is 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is KAMCSQXEJHGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-5-9(3,4)11-8(13)6(2)7(10)12-14/h6,14H,5H2,1-4H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 76925867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).