methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate

C8H12N2O4 — CID 43635919

IUPACmethyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate
SMILESCOC(=O)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-10-6(11)3-5(8(10)13)9-4-7(12)14-2/h5,9H,3-4H2,1-2H3
InChIKeyUBNIRLRWPCQONT-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.49
Rot. Bonds3

About methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate

methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate (PubChem CID 43635919) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate
PubChem CID43635919
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate
SMILESCOC(=O)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C8H12N2O4/c1-10-6(11)3-5(8(10)13)9-4-7(12)14-2/h5,9H,3-4H2,1-2H3
InChIKeyUBNIRLRWPCQONT-UHFFFAOYSA-N
XLogP-1.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate (CID 43635919) is methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate is COC(=O)CNC1CC(=O)N(C)C1=O.
What is the InChIKey of methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate?
The InChIKey is UBNIRLRWPCQONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-10-6(11)3-5(8(10)13)9-4-7(12)14-2/h5,9H,3-4H2,1-2H3.
What are the key properties of methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate?
methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate has a molecular weight of 200.19 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetate is sourced from PubChem (CID 43635919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).