[(2,5-dioxopyrrolidin-1-yl)amino] formate

C5H6N2O4 — CID 89105288

IUPAC[(2,5-dioxopyrrolidin-1-yl)amino] formate
SMILESO=CONN1C(=O)CCC1=O
InChIInChI=1S/C5H6N2O4/c8-3-11-6-7-4(9)1-2-5(7)10/h3,6H,1-2H2
InChIKeyXPQVKYXLECKVSJ-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.27
Rot. Bonds3

About [(2,5-dioxopyrrolidin-1-yl)amino] formate

[(2,5-dioxopyrrolidin-1-yl)amino] formate (PubChem CID 89105288) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is [(2,5-dioxopyrrolidin-1-yl)amino] formate.

Molecular Properties

Compound Name[(2,5-dioxopyrrolidin-1-yl)amino] formate
PubChem CID89105288
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name[(2,5-dioxopyrrolidin-1-yl)amino] formate
SMILESO=CONN1C(=O)CCC1=O
InChIInChI=1S/C5H6N2O4/c8-3-11-6-7-4(9)1-2-5(7)10/h3,6H,1-2H2
InChIKeyXPQVKYXLECKVSJ-UHFFFAOYSA-N
XLogP-1.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(methoxyamino)pyrrolidine-2,5-dione
CID 134473437
N-(2,5-dioxopyrrolidin-1-yl)oxyformamide
CID 88980282
1-(2,5-dioxopyrrolidin-1-yl)ethyl formate
CID 173415580
1,1-dimethylcyclopropane;(2,5-dioxopyrrolidin-1-yl) formate
CID 164604016
N-(2,5-dioxopyrrolidin-1-yl)-2,5-dioxopyrrolidine-1-carboxamide
CID 175006917
(2-oxopyrrolidin-1-yl) formate;silver
CID 87555007
1-[2-(2-aminoethylamino)ethylamino]pyrrolidine-2,5-dione
CID 67612561
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) 2-formamidoacetate
CID 59502327
1-(3,5-dichloroanilino)pyrrolidine-2,5-dione
CID 174577235
CID 59806961
CID 59806961
CID 58928873
CID 58928873

Frequently Asked Questions

What is the IUPAC name of [(2,5-dioxopyrrolidin-1-yl)amino] formate?
The IUPAC name of [(2,5-dioxopyrrolidin-1-yl)amino] formate (CID 89105288) is [(2,5-dioxopyrrolidin-1-yl)amino] formate.
What is the SMILES notation for [(2,5-dioxopyrrolidin-1-yl)amino] formate?
The canonical SMILES for [(2,5-dioxopyrrolidin-1-yl)amino] formate is O=CONN1C(=O)CCC1=O.
What is the InChIKey of [(2,5-dioxopyrrolidin-1-yl)amino] formate?
The InChIKey is XPQVKYXLECKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-3-11-6-7-4(9)1-2-5(7)10/h3,6H,1-2H2.
What are the key properties of [(2,5-dioxopyrrolidin-1-yl)amino] formate?
[(2,5-dioxopyrrolidin-1-yl)amino] formate has a molecular weight of 158.11 g/mol, XLogP of -1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dioxopyrrolidin-1-yl)amino] formate is sourced from PubChem (CID 89105288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).