methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate

C6H13N3O3 — CID 76929362

IUPACmethyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate
SMILESCCN(CC(N)=NO)C(=O)OC
InChIInChI=1S/C6H13N3O3/c1-3-9(6(10)12-2)4-5(7)8-11/h11H,3-4H2,1-2H3,(H2,7,8)
InChIKeyVWDOJLIOSFMNSH-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.18
Rot. Bonds3

About methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate

methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate (PubChem CID 76929362) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate
PubChem CID76929362
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Namemethyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate
SMILESCCN(CC(N)=NO)C(=O)OC
InChIInChI=1S/C6H13N3O3/c1-3-9(6(10)12-2)4-5(7)8-11/h11H,3-4H2,1-2H3,(H2,7,8)
InChIKeyVWDOJLIOSFMNSH-UHFFFAOYSA-N
XLogP-0.18
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
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'}

Analyze methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate?
The IUPAC name of methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate (CID 76929362) is methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate.
What is the SMILES notation for methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate?
The canonical SMILES for methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate is CCN(CC(N)=NO)C(=O)OC.
What is the InChIKey of methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate?
The InChIKey is VWDOJLIOSFMNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-3-9(6(10)12-2)4-5(7)8-11/h11H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate?
methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate has a molecular weight of 175.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-2-hydroxyiminoethyl)-N-ethylcarbamate is sourced from PubChem (CID 76929362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).