dimethyl 2-methoxycarbonyliminopropanedioate

C7H9NO6 — CID 11030902

IUPACdimethyl 2-methoxycarbonyliminopropanedioate
SMILESCOC(=O)N=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H9NO6/c1-12-5(9)4(6(10)13-2)8-7(11)14-3/h1-3H3
InChIKeyAKGNOUDUUHYQJG-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.46
Rot. Bonds2

About dimethyl 2-methoxycarbonyliminopropanedioate

dimethyl 2-methoxycarbonyliminopropanedioate (PubChem CID 11030902) has the molecular formula C7H9NO6 and a molecular weight of 203.15 g/mol. Its IUPAC name is dimethyl 2-methoxycarbonyliminopropanedioate.

Molecular Properties

Compound Namedimethyl 2-methoxycarbonyliminopropanedioate
PubChem CID11030902
Molecular FormulaC7H9NO6
Molecular Weight203.15 g/mol
Exact Mass203.04
IUPAC Namedimethyl 2-methoxycarbonyliminopropanedioate
SMILESCOC(=O)N=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H9NO6/c1-12-5(9)4(6(10)13-2)8-7(11)14-3/h1-3H3
InChIKeyAKGNOUDUUHYQJG-UHFFFAOYSA-N
XLogP-0.46
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Propanedioic acid, (methoxyimino)-, dimethyl ester
CID 547934
N-methyl c,c-bis(methoxycarbonyl)nitrone
CID 547985
Propanedioic acid, (acetylimino)-, diethyl ester
CID 11287368
Dimethyl t-butyliminomalonate
CID 13092878
Diethyl [(ethoxycarbonyl)imino]propanedioate
CID 13258559
Dimethyl ethyliminomalonate
CID 129794131
Dimethyl 2-methyliminopropanedioate
CID 13464043
CID 59967662
CID 59967662
Diethyl 2-methyliminopropanedioate
CID 86205419
methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate
CID 10703969
Dimethyl 2-propan-2-yliminopropanedioate
CID 13092877
Dimethyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]propanedioate
CID 129987045

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxycarbonyliminopropanedioate?
The IUPAC name of dimethyl 2-methoxycarbonyliminopropanedioate (CID 11030902) is dimethyl 2-methoxycarbonyliminopropanedioate.
What is the SMILES notation for dimethyl 2-methoxycarbonyliminopropanedioate?
The canonical SMILES for dimethyl 2-methoxycarbonyliminopropanedioate is COC(=O)N=C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxycarbonyliminopropanedioate?
The InChIKey is AKGNOUDUUHYQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO6/c1-12-5(9)4(6(10)13-2)8-7(11)14-3/h1-3H3.
What are the key properties of dimethyl 2-methoxycarbonyliminopropanedioate?
dimethyl 2-methoxycarbonyliminopropanedioate has a molecular weight of 203.15 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxycarbonyliminopropanedioate is sourced from PubChem (CID 11030902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).