methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate

C8H11NO6 — CID 10703969

IUPACmethyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate
SMILESCOC(=O)/N=C(/COC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO6/c1-5(10)15-4-6(7(11)13-2)9-8(12)14-3/h4H2,1-3H3/b9-6-
InChIKeyFNDSBWJRPQFCSG-TWGQIWQCSA-N
MW217.18 g/mol
LogP-0.07
Rot. Bonds3

About methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate

methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate (PubChem CID 10703969) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate.

Molecular Properties

Compound Namemethyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate
PubChem CID10703969
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Namemethyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate
SMILESCOC(=O)/N=C(/COC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO6/c1-5(10)15-4-6(7(11)13-2)9-8(12)14-3/h4H2,1-3H3/b9-6-
InChIKeyFNDSBWJRPQFCSG-TWGQIWQCSA-N
XLogP-0.07
TPSA91.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 2-methoxycarbonyliminopropanedioate
CID 11030902
Propanedioic acid, (acetylimino)-, diethyl ester
CID 11287368
Diethyl [(ethoxycarbonyl)imino]propanedioate
CID 13258559
ethyl (3Z)-3-ethoxy-3-ethoxycarbonyliminopropanoate
CID 134921581
(3-Ethoxy-3-oxopropyl) 2-diazopropanoate
CID 176430462
1,3-diethoxy-N-methyl-1,3-dioxopropan-2-imine oxide
CID 535487
Ethyl 3-ethoxy-3-methoxycarbonyliminopropanoate
CID 54419225
Ethyl 2-ethoxycarbonyliminopropanoate
CID 56989318
Methyl 2-butoxycarbonyliminopropanoate
CID 56993207
Methyl 2-methoxycarbonyliminopropanoate
CID 57054474
Ethyl 2-methoxycarbonyliminopropanoate
CID 57060473
Methyl 2-ethoxycarbonyliminopropanoate
CID 57155556

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate?
The IUPAC name of methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate (CID 10703969) is methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate.
What is the SMILES notation for methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate?
The canonical SMILES for methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate is COC(=O)/N=C(/COC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate?
The InChIKey is FNDSBWJRPQFCSG-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H11NO6/c1-5(10)15-4-6(7(11)13-2)9-8(12)14-3/h4H2,1-3H3/b9-6-.
What are the key properties of methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate?
methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate has a molecular weight of 217.18 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-3-acetyloxy-2-methoxycarbonyliminopropanoate is sourced from PubChem (CID 10703969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).