dimethyl (2E)-2-methoxyiminobutanedioate

C7H11NO5 — CID 5365394

IUPACdimethyl (2E)-2-methoxyiminobutanedioate
SMILESCO/N=C(\CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-6(9)4-5(8-13-3)7(10)12-2/h4H2,1-3H3/b8-5+
InChIKeyGSKVVYOLQYQBPB-VMPITWQZSA-N
MW189.17 g/mol
LogP-0.28
Rot. Bonds4

About dimethyl (2E)-2-methoxyiminobutanedioate

dimethyl (2E)-2-methoxyiminobutanedioate (PubChem CID 5365394) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is dimethyl (2E)-2-methoxyiminobutanedioate.

Molecular Properties

Compound Namedimethyl (2E)-2-methoxyiminobutanedioate
PubChem CID5365394
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Namedimethyl (2E)-2-methoxyiminobutanedioate
SMILESCO/N=C(\CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-6(9)4-5(8-13-3)7(10)12-2/h4H2,1-3H3/b8-5+
InChIKeyGSKVVYOLQYQBPB-VMPITWQZSA-N
XLogP-0.28
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.28
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 (2E)-2-methoxyiminopentanedioate
CID 5365354
methyl 3-methoxyiminobutanoate
CID 72729968
methyl 4-chloro-4-methoxyimino-3-oxobutanoate
CID 3017960
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
(3E)-3-methoxyiminohexane-2,5-dione
CID 59870699
dimethyl 4-methoxyiminoheptanedioate
CID 587685
dimethyl 2-[5-[(1,4-dimethoxy-1,4-dioxobutan-2-ylidene)amino]naphthalen-1-yl]iminobutanedioate
CID 123804912
CID 87726616
CID 87726616
ethyl (2E)-2-methoxyimino-4-oxopentaneperoxoate
CID 118355618
dimethyl 2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]butanedioate
CID 4891941
dimethyl 2-(2-methoxyphenyl)iminobutanedioate
CID 90950078
dimethyl 2-(2-fluorophenyl)iminobutanedioate
CID 123352869

Frequently Asked Questions

What is the IUPAC name of dimethyl (2E)-2-methoxyiminobutanedioate?
The IUPAC name of dimethyl (2E)-2-methoxyiminobutanedioate (CID 5365394) is dimethyl (2E)-2-methoxyiminobutanedioate.
What is the SMILES notation for dimethyl (2E)-2-methoxyiminobutanedioate?
The canonical SMILES for dimethyl (2E)-2-methoxyiminobutanedioate is CO/N=C(\CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2E)-2-methoxyiminobutanedioate?
The InChIKey is GSKVVYOLQYQBPB-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11NO5/c1-11-6(9)4-5(8-13-3)7(10)12-2/h4H2,1-3H3/b8-5+.
What are the key properties of dimethyl (2E)-2-methoxyiminobutanedioate?
dimethyl (2E)-2-methoxyiminobutanedioate has a molecular weight of 189.17 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2E)-2-methoxyiminobutanedioate is sourced from PubChem (CID 5365394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).