methyl 2-(1-ethoxyethylideneamino)acetate

C7H13NO3 — CID 10986527

IUPACmethyl 2-(1-ethoxyethylideneamino)acetate
SMILESCCO/C(C)=N/CC(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-11-6(2)8-5-7(9)10-3/h4-5H2,1-3H3/b8-6+
InChIKeyZMVCMLOHEMNEKM-SOFGYWHQSA-N
MW159.19 g/mol
LogP0.61
Rot. Bonds3

About methyl 2-(1-ethoxyethylideneamino)acetate

methyl 2-(1-ethoxyethylideneamino)acetate (PubChem CID 10986527) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 2-(1-ethoxyethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethoxyethylideneamino)acetate
PubChem CID10986527
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-(1-ethoxyethylideneamino)acetate
SMILESCCO/C(C)=N/CC(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-11-6(2)8-5-7(9)10-3/h4-5H2,1-3H3/b8-6+
InChIKeyZMVCMLOHEMNEKM-SOFGYWHQSA-N
XLogP0.61
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 2-(1-aminoethylideneamino)acetate
CID 82651381
methyl 3-(1-ethoxyethylideneamino)oxypropanoate
CID 71331645
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
ethyl N-acetylethanimidate
CID 10011919
ethyl 2-[[amino(hydrazinyl)methylidene]amino]acetate
CID 64868821
diethyl propanedioate;ethyl 3-oxobutanoate;methyl 3-oxobutanoate
CID 162260175
butane;methyl 2-nitrosoacetate
CID 142212334
ethyl N-(methylcarbamoyl)ethanimidate
CID 71371066
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethoxyethylideneamino)acetate?
The IUPAC name of methyl 2-(1-ethoxyethylideneamino)acetate (CID 10986527) is methyl 2-(1-ethoxyethylideneamino)acetate.
What is the SMILES notation for methyl 2-(1-ethoxyethylideneamino)acetate?
The canonical SMILES for methyl 2-(1-ethoxyethylideneamino)acetate is CCO/C(C)=N/CC(=O)OC.
What is the InChIKey of methyl 2-(1-ethoxyethylideneamino)acetate?
The InChIKey is ZMVCMLOHEMNEKM-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-11-6(2)8-5-7(9)10-3/h4-5H2,1-3H3/b8-6+.
What are the key properties of methyl 2-(1-ethoxyethylideneamino)acetate?
methyl 2-(1-ethoxyethylideneamino)acetate has a molecular weight of 159.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethoxyethylideneamino)acetate is sourced from PubChem (CID 10986527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).