dimethyl (2E)-2-methoxyiminopentanedioate

C8H13NO5 — CID 5365354

IUPACdimethyl (2E)-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-RMKNXTFCSA-N
MW203.19 g/mol
LogP0.12
Rot. Bonds5

About dimethyl (2E)-2-methoxyiminopentanedioate

dimethyl (2E)-2-methoxyiminopentanedioate (PubChem CID 5365354) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is dimethyl (2E)-2-methoxyiminopentanedioate.

Molecular Properties

Compound Namedimethyl (2E)-2-methoxyiminopentanedioate
PubChem CID5365354
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namedimethyl (2E)-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-RMKNXTFCSA-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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Related Compounds

Dimethyl 2-diazopentane-1,5-dioate
CID 54067448
Diethyl 2-diazopentanedioate
CID 85788682
3-carbomethoxy-4,5-dihydro-6h-1,2-oxazine N-oxide
CID 85801049
Diethyl 2-oximinoglutarate
CID 129736155
(2Z)-2-(ethoxyimino)pentanedioic acid
CID 138756231
3-Acetyl pentanedioic acid, methyl ester, methoxime, anti
CID 91749505
Pentanedioic acid, 2-(methoxyimino)-, dimethyl ester
CID 6536880
(2E)-2-methoxyiminopentanedioic acid
CID 13908937
Diethyl 2-iminopentanedioate
CID 53702191
Diethyl 3-iminopentanedioate
CID 53828600
Methyl 2-(4,5-dihydro-1,2-oxazol-3-yl)acetate
CID 53874588
Dimethyl 3-iminopentanedioate
CID 54551187

Frequently Asked Questions

What is the IUPAC name of dimethyl (2E)-2-methoxyiminopentanedioate?
The IUPAC name of dimethyl (2E)-2-methoxyiminopentanedioate (CID 5365354) is dimethyl (2E)-2-methoxyiminopentanedioate.
What is the SMILES notation for dimethyl (2E)-2-methoxyiminopentanedioate?
The canonical SMILES for dimethyl (2E)-2-methoxyiminopentanedioate is CO/N=C(\CCC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2E)-2-methoxyiminopentanedioate?
The InChIKey is FUXGXASPZKYUBX-RMKNXTFCSA-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 (2E)-2-methoxyiminopentanedioate?
dimethyl (2E)-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 (2E)-2-methoxyiminopentanedioate is sourced from PubChem (CID 5365354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).