ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate

C6H13N3O3 — CID 76929212

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

About ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate

ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate (PubChem CID 76929212) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
PubChem CID76929212
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Nameethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(N)=NO
InChIInChI=1S/C6H13N3O3/c1-3-12-6(10)9(2)4-5(7)8-11/h11H,3-4H2,1-2H3,(H2,7,8)
InChIKeyOVMSPRLNFPJVPS-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'}

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Related Compounds

ethyl N-methyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 60652010
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
CID 107940532
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N-(2-amino-2-hydroxyiminoethyl)-N,4-dimethylbenzamide
CID 76929049
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
CID 82987182
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate (CID 76929212) is ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate is CCOC(=O)N(C)CC(N)=NO.
What is the InChIKey of ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate?
The InChIKey is OVMSPRLNFPJVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-3-12-6(10)9(2)4-5(7)8-11/h11H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate?
ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate 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 ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate is sourced from PubChem (CID 76929212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).