methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate

C8H10N2O5 — CID 56639289

IUPACmethyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(=O)CN(CC(N)=O)C1=O
InChIInChI=1S/C8H10N2O5/c1-15-8(14)6-4(11)2-10(7(6)13)3-5(9)12/h6H,2-3H2,1H3,(H2,9,12)
InChIKeyROPPOQPQUITEOY-UHFFFAOYSA-N
MW214.18 g/mol
LogP-2.33
Rot. Bonds3

About methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate

methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate (PubChem CID 56639289) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate
PubChem CID56639289
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Namemethyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1C(=O)CN(CC(N)=O)C1=O
InChIInChI=1S/C8H10N2O5/c1-15-8(14)6-4(11)2-10(7(6)13)3-5(9)12/h6H,2-3H2,1H3,(H2,9,12)
InChIKeyROPPOQPQUITEOY-UHFFFAOYSA-N
XLogP-2.33
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methoxycarbonyl-2-oxo-1-pyrrolidinyl)butanamide
CID 44367383
Ethyl 1-ethyl-4,5-dioxopyrrolidine-3-carboxylate
CID 219264
Dimethyl 4-oxopyrrolidine-1,3-dicarboxylate
CID 24179089
Ethyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate
CID 219263
3-Pyrrolidinecarboxylic acid, 2,4-dioxo-, methyl ester
CID 533986
Methyl 4-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylate
CID 112535988
Ethyl 4,5-dioxo-1-propylpyrrolidine-3-carboxylate
CID 219265
Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
CID 323504
Methyl 1-methyl-4,5-dioxopyrrolidine-3-carboxylate
CID 10559087
Methyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate
CID 13560382
Ethyl 2,4-dioxopyrrolidine-3-carboxylate
CID 13583747
3-Carboethoxy-1-propyl-2,4-dioxopyrrolidine
CID 14074904

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate (CID 56639289) is methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate is COC(=O)C1C(=O)CN(CC(N)=O)C1=O.
What is the InChIKey of methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate?
The InChIKey is ROPPOQPQUITEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-15-8(14)6-4(11)2-10(7(6)13)3-5(9)12/h6H,2-3H2,1H3,(H2,9,12).
What are the key properties of methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate?
methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate has a molecular weight of 214.18 g/mol, XLogP of -2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-oxoethyl)-2,4-dioxopyrrolidine-3-carboxylate is sourced from PubChem (CID 56639289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).