ethyl (2E)-2-methoxycarbonyliminoacetate

C6H9NO4 — CID 11309660

IUPACethyl (2E)-2-methoxycarbonyliminoacetate
SMILESCCOC(=O)/C=N/C(=O)OC
InChIInChI=1S/C6H9NO4/c1-3-11-5(8)4-7-6(9)10-2/h4H,3H2,1-2H3/b7-4+
InChIKeyFRWMVQBMFOZKRI-QPJJXVBHSA-N
MW159.14 g/mol
LogP0.39
Rot. Bonds2

About ethyl (2E)-2-methoxycarbonyliminoacetate

ethyl (2E)-2-methoxycarbonyliminoacetate (PubChem CID 11309660) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is ethyl (2E)-2-methoxycarbonyliminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-methoxycarbonyliminoacetate
PubChem CID11309660
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Nameethyl (2E)-2-methoxycarbonyliminoacetate
SMILESCCOC(=O)/C=N/C(=O)OC
InChIInChI=1S/C6H9NO4/c1-3-11-5(8)4-7-6(9)10-2/h4H,3H2,1-2H3/b7-4+
InChIKeyFRWMVQBMFOZKRI-QPJJXVBHSA-N
XLogP0.39
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-methoxycarbonyliminoacetate?
The IUPAC name of ethyl (2E)-2-methoxycarbonyliminoacetate (CID 11309660) is ethyl (2E)-2-methoxycarbonyliminoacetate.
What is the SMILES notation for ethyl (2E)-2-methoxycarbonyliminoacetate?
The canonical SMILES for ethyl (2E)-2-methoxycarbonyliminoacetate is CCOC(=O)/C=N/C(=O)OC.
What is the InChIKey of ethyl (2E)-2-methoxycarbonyliminoacetate?
The InChIKey is FRWMVQBMFOZKRI-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H9NO4/c1-3-11-5(8)4-7-6(9)10-2/h4H,3H2,1-2H3/b7-4+.
What are the key properties of ethyl (2E)-2-methoxycarbonyliminoacetate?
ethyl (2E)-2-methoxycarbonyliminoacetate has a molecular weight of 159.14 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-methoxycarbonyliminoacetate is sourced from PubChem (CID 11309660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).