N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide

C11H21N3O2 — CID 77044650

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(2)11(15)14(7-10(12)13-16)9-5-3-4-6-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyFPUQLWDVCCKDJA-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide (PubChem CID 77044650) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
PubChem CID77044650
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(2)11(15)14(7-10(12)13-16)9-5-3-4-6-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyFPUQLWDVCCKDJA-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylbutanamide
CID 77038103
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
CID 77044603
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxyethanimidamide
CID 77038132
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 77038106
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-cyclopentylurea
CID 77044727
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-5-methyloxolane-2-carboxamide
CID 81327111
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
CID 107940599

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide (CID 77044650) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide is CC(C)C(=O)N(CC(N)=NO)C1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide?
The InChIKey is FPUQLWDVCCKDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)11(15)14(7-10(12)13-16)9-5-3-4-6-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide is sourced from PubChem (CID 77044650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).