N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide

C8H15N3O2 — CID 76929440

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
SMILESCN(CC(N)=NO)C(=O)C1CCC1
InChIInChI=1S/C8H15N3O2/c1-11(5-7(9)10-13)8(12)6-3-2-4-6/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyOKAPBEZIIIOCAQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.01
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide (PubChem CID 76929440) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
PubChem CID76929440
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
SMILESCN(CC(N)=NO)C(=O)C1CCC1
InChIInChI=1S/C8H15N3O2/c1-11(5-7(9)10-13)8(12)6-3-2-4-6/h6,13H,2-5H2,1H3,(H2,9,10)
InChIKeyOKAPBEZIIIOCAQ-UHFFFAOYSA-N
XLogP-0.01
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.01
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-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
CID 76929255
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclohexanecarboxamide
CID 76929305
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
CID 76947015
N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
CID 79162050
N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
CID 79152042
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylpropanamide
CID 77044650
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-5-methyloxolane-2-carboxamide
CID 81327111

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide (CID 76929440) is N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide is CN(CC(N)=NO)C(=O)C1CCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide?
The InChIKey is OKAPBEZIIIOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11(5-7(9)10-13)8(12)6-3-2-4-6/h6,13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.01, 3 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-methylcyclobutanecarboxamide is sourced from PubChem (CID 76929440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).