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

C8H15N3O3 — CID 77039366

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
SMILESCOCC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H15N3O3/c1-14-4-6(12)10-7(5-2-3-5)8(9)11-13/h5,7,13H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyRBTJUFJIFTZWAH-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.73
Rot. Bonds5

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

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide (PubChem CID 77039366) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
PubChem CID77039366
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
SMILESCOCC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C8H15N3O3/c1-14-4-6(12)10-7(5-2-3-5)8(9)11-13/h5,7,13H,2-4H2,1H3,(H2,9,11)(H,10,12)
InChIKeyRBTJUFJIFTZWAH-UHFFFAOYSA-N
XLogP-0.73
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.73
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-ethoxyacetamide
CID 77037057
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-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxyacetamide
CID 76897406
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-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
2-cyclopropyl-N'-hydroxy-2-(3-methoxypropylsulfonylamino)ethanimidamide
CID 77038259
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-hydroxy-3-methoxybenzamide
CID 77038559
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
CID 77038556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide (CID 77039366) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide is COCC(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide?
The InChIKey is RBTJUFJIFTZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-14-4-6(12)10-7(5-2-3-5)8(9)11-13/h5,7,13H,2-4H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide has a molecular weight of 201.23 g/mol, XLogP of -0.73, 5 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-methoxyacetamide is sourced from PubChem (CID 77039366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).