dimethyl 2-(methoxymethylideneamino)propanedioate

C7H11NO5 — CID 13442516

IUPACdimethyl 2-(methoxymethylideneamino)propanedioate
SMILESCO/C=N/C(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-4-8-5(6(9)12-2)7(10)13-3/h4-5H,1-3H3/b8-4+
InChIKeySEKUNJVTOGCTMJ-XBXARRHUSA-N
MW189.17 g/mol
LogP-0.62
Rot. Bonds4

About dimethyl 2-(methoxymethylideneamino)propanedioate

dimethyl 2-(methoxymethylideneamino)propanedioate (PubChem CID 13442516) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is dimethyl 2-(methoxymethylideneamino)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(methoxymethylideneamino)propanedioate
PubChem CID13442516
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Namedimethyl 2-(methoxymethylideneamino)propanedioate
SMILESCO/C=N/C(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H11NO5/c1-11-4-8-5(6(9)12-2)7(10)13-3/h4-5H,1-3H3/b8-4+
InChIKeySEKUNJVTOGCTMJ-XBXARRHUSA-N
XLogP-0.62
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 ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(methoxymethylideneamino)propanedioate?
The IUPAC name of dimethyl 2-(methoxymethylideneamino)propanedioate (CID 13442516) is dimethyl 2-(methoxymethylideneamino)propanedioate.
What is the SMILES notation for dimethyl 2-(methoxymethylideneamino)propanedioate?
The canonical SMILES for dimethyl 2-(methoxymethylideneamino)propanedioate is CO/C=N/C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(methoxymethylideneamino)propanedioate?
The InChIKey is SEKUNJVTOGCTMJ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11NO5/c1-11-4-8-5(6(9)12-2)7(10)13-3/h4-5H,1-3H3/b8-4+.
What are the key properties of dimethyl 2-(methoxymethylideneamino)propanedioate?
dimethyl 2-(methoxymethylideneamino)propanedioate has a molecular weight of 189.17 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(methoxymethylideneamino)propanedioate is sourced from PubChem (CID 13442516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).