N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide

C9H17N3O3 — CID 77037057

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H17N3O3/c1-2-15-5-7(13)11-8(6-3-4-6)9(10)12-14/h6,8,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyXYTSJYYSMRWGAJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.34
Rot. Bonds6

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide (PubChem CID 77037057) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
PubChem CID77037057
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C9H17N3O3/c1-2-15-5-7(13)11-8(6-3-4-6)9(10)12-14/h6,8,14H,2-5H2,1H3,(H2,10,12)(H,11,13)
InChIKeyXYTSJYYSMRWGAJ-UHFFFAOYSA-N
XLogP-0.34
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940415
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
CID 77038709
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-(4-methylphenyl)propanamide
CID 77039299
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-(3,4-dimethylphenyl)acetamide
CID 77039374
N-[(1R)-1-cyclopentylethyl]-2-ethoxyacetamide
CID 81389829
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-butylcyclohexane-1-carboxamide
CID 77038788
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide (CID 77037057) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide is CCOCC(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide?
The InChIKey is XYTSJYYSMRWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-15-5-7(13)11-8(6-3-4-6)9(10)12-14/h6,8,14H,2-5H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide has a molecular weight of 215.25 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide is sourced from PubChem (CID 77037057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).