tert-Butyl 2-(2-carbamoyl-1H-pyrrol-1-ylamino)-2-oxoethylcarbamate

HCID 59313680
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCC(=O)Nn1cccc1C(N)=O
InChIKey
LBIXDTDHCBSKMS-UHFFFAOYSA-N
Molecular formula
C12H18N4O4
Average molar mass
282.3 g/mol
Monoisotopic mass
282.13280507

Names & identifiers

Preferred name
tert-Butyl 2-(2-carbamoyl-1H-pyrrol-1-ylamino)-2-oxoethylcarbamate
IUPAC
tert-butyl N-[2-[(2-carbamoylpyrrol-1-yl)amino]-2-oxoethyl]carbamate

Names & synonyms

SCHEMBL3314258LBIXDTDHCBSKMS-UHFFFAOYSA-Ntert-Butyl 2-(2-carbamoyl-1H-pyrrol-1-ylamino)-2-oxoethylcarbamate

Database identifiers

PubChem CID
59313680

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

Loading…