N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide

C12H23N3O2 — CID 77038541

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
SMILESCC(C)C(NC(=O)CC1CCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-8(2)11(12(13)15-17)14-10(16)7-9-5-3-4-6-9/h8-9,11,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyMGLMUGAVEGRCEV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.45
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide (PubChem CID 77038541) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
PubChem CID77038541
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
SMILESCC(C)C(NC(=O)CC1CCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-8(2)11(12(13)15-17)14-10(16)7-9-5-3-4-6-9/h8-9,11,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyMGLMUGAVEGRCEV-UHFFFAOYSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.45
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'}

Analyze N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
CID 81003942
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclobutylacetamide
CID 103166128
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326944
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 114212897
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 119369009

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide (CID 77038541) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide is CC(C)C(NC(=O)CC1CCCC1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide?
The InChIKey is MGLMUGAVEGRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)11(12(13)15-17)14-10(16)7-9-5-3-4-6-9/h8-9,11,17H,3-7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide has a molecular weight of 241.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 77038541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).