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

C7H10N2O4 — CID 43637687

IUPACmethyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate
SMILESCOC(=O)CNC1CC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c1-13-6(11)3-8-4-2-5(10)9-7(4)12/h4,8H,2-3H2,1H3,(H,9,10,12)
InChIKeyHLRMLOMCTUNDRT-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.84
Rot. Bonds3

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

methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate (PubChem CID 43637687) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate
PubChem CID43637687
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namemethyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate
SMILESCOC(=O)CNC1CC(=O)NC1=O
InChIInChI=1S/C7H10N2O4/c1-13-6(11)3-8-4-2-5(10)9-7(4)12/h4,8H,2-3H2,1H3,(H,9,10,12)
InChIKeyHLRMLOMCTUNDRT-UHFFFAOYSA-N
XLogP-1.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate (CID 43637687) is methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate is COC(=O)CNC1CC(=O)NC1=O.
What is the InChIKey of methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate?
The InChIKey is HLRMLOMCTUNDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-13-6(11)3-8-4-2-5(10)9-7(4)12/h4,8H,2-3H2,1H3,(H,9,10,12).
What are the key properties of methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate?
methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate has a molecular weight of 186.17 g/mol, XLogP of -1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dioxopyrrolidin-3-yl)amino]acetate is sourced from PubChem (CID 43637687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).