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tert-butyl N-(1-tert-butyl-5-carbamoylpyrrolidin-3-yl)carbamate

HCID 178452800
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC1CC(C(N)=O)N(C(C)(C)C)C1
InChIKey
FIUBTMPVEUFHAG-UHFFFAOYSA-N
Molecular formula
C14H27N3O3
Average molar mass
285.38 g/mol
Monoisotopic mass
285.20524173

Names & identifiers

IUPAC
tert-butyl N-(1-tert-butyl-5-carbamoylpyrrolidin-3-yl)carbamate

Database identifiers

PubChem CID
76501729

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
84.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
382

Related reactions

2 records
New reaction record
HRID 187617 reaction equation
HRID 187617As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 295990 reaction equation
HRID 295990As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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