dimethyl (2Z)-2-methoxyiminopentanedioate

C8H13NO5 — CID 6536880

IUPACdimethyl (2Z)-2-methoxyiminopentanedioate
SMILESCO/N=C(/CCC(=O)OC)C(=O)OC
InChIInChI=1S/C8H13NO5/c1-12-7(10)5-4-6(9-14-3)8(11)13-2/h4-5H2,1-3H3/b9-6-
InChIKeyFUXGXASPZKYUBX-TWGQIWQCSA-N
MW203.19 g/mol
LogP0.12
Rot. Bonds5

About dimethyl (2Z)-2-methoxyiminopentanedioate

dimethyl (2Z)-2-methoxyiminopentanedioate (PubChem CID 6536880) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is dimethyl (2Z)-2-methoxyiminopentanedioate.

Molecular Properties

Compound Namedimethyl (2Z)-2-methoxyiminopentanedioate
PubChem CID6536880
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namedimethyl (2Z)-2-methoxyiminopentanedioate
SMILESCO/N=C(/CCC(=O)OC)C(=O)OC
InChIInChI=1S/C8H13NO5/c1-12-7(10)5-4-6(9-14-3)8(11)13-2/h4-5H2,1-3H3/b9-6-
InChIKeyFUXGXASPZKYUBX-TWGQIWQCSA-N
XLogP0.12
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2Z)-2-methoxyiminopentanedioate?
The IUPAC name of dimethyl (2Z)-2-methoxyiminopentanedioate (CID 6536880) is dimethyl (2Z)-2-methoxyiminopentanedioate.
What is the SMILES notation for dimethyl (2Z)-2-methoxyiminopentanedioate?
The canonical SMILES for dimethyl (2Z)-2-methoxyiminopentanedioate is CO/N=C(/CCC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2Z)-2-methoxyiminopentanedioate?
The InChIKey is FUXGXASPZKYUBX-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H13NO5/c1-12-7(10)5-4-6(9-14-3)8(11)13-2/h4-5H2,1-3H3/b9-6-.
What are the key properties of dimethyl (2Z)-2-methoxyiminopentanedioate?
dimethyl (2Z)-2-methoxyiminopentanedioate has a molecular weight of 203.19 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2Z)-2-methoxyiminopentanedioate is sourced from PubChem (CID 6536880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).