N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide

C10H19N3O2 — CID 103166128

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
SMILESCC(CC(N)=NO)NC(=O)CC1CCC1
InChIInChI=1S/C10H19N3O2/c1-7(5-9(11)13-15)12-10(14)6-8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCGRPJTRRRIJSHU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds5

About N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide (PubChem CID 103166128) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
PubChem CID103166128
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
SMILESCC(CC(N)=NO)NC(=O)CC1CCC1
InChIInChI=1S/C10H19N3O2/c1-7(5-9(11)13-15)12-10(14)6-8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyCGRPJTRRRIJSHU-UHFFFAOYSA-N
XLogP0.82
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
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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Related Compounds

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(4-amino-4-hydroxyiminobutan-2-yl)oxolane-2-carboxamide
CID 76934587
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
3-[(3-amino-3-hydroxyiminopropanoyl)amino]butanamide
CID 104870493
N-(4-amino-4-hydroxyiminobutan-2-yl)dodecanamide
CID 77069082
3-[[2-(4,4-dimethylcyclohexyl)acetyl]amino]butanoic acid
CID 120522699
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide (CID 103166128) is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide is CC(CC(N)=NO)NC(=O)CC1CCC1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide?
The InChIKey is CGRPJTRRRIJSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(5-9(11)13-15)12-10(14)6-8-3-2-4-8/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide has a molecular weight of 213.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide is sourced from PubChem (CID 103166128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).