3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide

C9H17N3O2 — CID 104861590

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
SMILESCC1CC(NC(=O)C(C)C(N)=NO)C1
InChIInChI=1S/C9H17N3O2/c1-5-3-7(4-5)11-9(13)6(2)8(10)12-14/h5-7,14H,3-4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyQPXSMXPQSCMMGG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.28
Rot. Bonds3

About 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide (PubChem CID 104861590) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
PubChem CID104861590
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
SMILESCC1CC(NC(=O)C(C)C(N)=NO)C1
InChIInChI=1S/C9H17N3O2/c1-5-3-7(4-5)11-9(13)6(2)8(10)12-14/h5-7,14H,3-4H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyQPXSMXPQSCMMGG-UHFFFAOYSA-N
XLogP0.28
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.28
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-(3-methylcyclobutyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide (CID 104861590) is 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide is CC1CC(NC(=O)C(C)C(N)=NO)C1.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide?
The InChIKey is QPXSMXPQSCMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-5-3-7(4-5)11-9(13)6(2)8(10)12-14/h5-7,14H,3-4H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.28, 3 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-(3-methylcyclobutyl)propanamide is sourced from PubChem (CID 104861590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).