methyl (2E)-2-methoxycarbonyliminoacetate

C5H7NO4 — CID 134881836

IUPACmethyl (2E)-2-methoxycarbonyliminoacetate
SMILESCOC(=O)/C=N/C(=O)OC
InChIInChI=1S/C5H7NO4/c1-9-4(7)3-6-5(8)10-2/h3H,1-2H3/b6-3+
InChIKeyIVSYIFVGLMKEDA-ZZXKWVIFSA-N
MW145.11 g/mol
LogP-0.00
Rot. Bonds1

About methyl (2E)-2-methoxycarbonyliminoacetate

methyl (2E)-2-methoxycarbonyliminoacetate (PubChem CID 134881836) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is methyl (2E)-2-methoxycarbonyliminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxycarbonyliminoacetate
PubChem CID134881836
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Namemethyl (2E)-2-methoxycarbonyliminoacetate
SMILESCOC(=O)/C=N/C(=O)OC
InChIInChI=1S/C5H7NO4/c1-9-4(7)3-6-5(8)10-2/h3H,1-2H3/b6-3+
InChIKeyIVSYIFVGLMKEDA-ZZXKWVIFSA-N
XLogP-0.00
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2E)-2-methoxycarbonyliminoacetate 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 (2E)-2-methoxycarbonyliminoacetate?
The IUPAC name of methyl (2E)-2-methoxycarbonyliminoacetate (CID 134881836) is methyl (2E)-2-methoxycarbonyliminoacetate.
What is the SMILES notation for methyl (2E)-2-methoxycarbonyliminoacetate?
The canonical SMILES for methyl (2E)-2-methoxycarbonyliminoacetate is COC(=O)/C=N/C(=O)OC.
What is the InChIKey of methyl (2E)-2-methoxycarbonyliminoacetate?
The InChIKey is IVSYIFVGLMKEDA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H7NO4/c1-9-4(7)3-6-5(8)10-2/h3H,1-2H3/b6-3+.
What are the key properties of methyl (2E)-2-methoxycarbonyliminoacetate?
methyl (2E)-2-methoxycarbonyliminoacetate has a molecular weight of 145.11 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxycarbonyliminoacetate is sourced from PubChem (CID 134881836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).