ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate

C7H12N2O5 — CID 112756193

IUPACethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate
SMILESCCOC(=O)C(N)=NOC(=O)COC
InChIInChI=1S/C7H12N2O5/c1-3-13-7(11)6(8)9-14-5(10)4-12-2/h3-4H2,1-2H3,(H2,8,9)
InChIKeyLROQYPCOAXNRFZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.99
Rot. Bonds4

About ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate

ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate (PubChem CID 112756193) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate
PubChem CID112756193
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Nameethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate
SMILESCCOC(=O)C(N)=NOC(=O)COC
InChIInChI=1S/C7H12N2O5/c1-3-13-7(11)6(8)9-14-5(10)4-12-2/h3-4H2,1-2H3,(H2,8,9)
InChIKeyLROQYPCOAXNRFZ-UHFFFAOYSA-N
XLogP-0.99
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate with MolForge

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

Launch Full Analysis

Related Compounds

CID 172843337
CID 172843337
[(1-amino-2-chloroethylidene)amino] 2-methoxyacetate
CID 112756172
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
2-O-(diaminomethylideneamino) 1-O-ethyl oxalate
CID 57134216
ethyl (2E)-3-amino-2-methoxyimino-3-oxopropanoate
CID 14075610
ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110
4-ethoxy-2,3-bis(methoxymethyl)-4-oxobut-2-enoic acid
CID 54350286
CID 159370772
CID 159370772
ethyl 4-chloro-2-(4-chloro-3-oxobutanoyl)oxyimino-3-oxobutanoate
CID 174994488
[(Z)-(1-amino-2-ethoxy-2-oxoethylidene)amino] 3-fluorobenzoate
CID 178138720

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate?
The IUPAC name of ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate (CID 112756193) is ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate.
What is the SMILES notation for ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate?
The canonical SMILES for ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate is CCOC(=O)C(N)=NOC(=O)COC.
What is the InChIKey of ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate?
The InChIKey is LROQYPCOAXNRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-3-13-7(11)6(8)9-14-5(10)4-12-2/h3-4H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate?
ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate has a molecular weight of 204.18 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-methoxyacetyl)oxyiminoacetate is sourced from PubChem (CID 112756193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).