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Tert-butyl 2-(aminocarbonyl)-4-fluoropyrrolidine-1-carboxylate

HCID 17856474
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
920009-84-3
Standard SMILES
CC(C)(C)OC(=O)N1CC(F)CC1C(N)=O
InChIKey
SQGNCVVKJIZGLC-UHFFFAOYSA-N
Molecular formula
C10H17FN2O3
Average molar mass
232.25 g/mol
Monoisotopic mass
232.12232062

Names & identifiers

Preferred name
Tert-butyl 2-(aminocarbonyl)-4-fluoropyrrolidine-1-carboxylate
IUPAC
tert-butyl 2-carbamoyl-4-fluoropyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL241210SQGNCVVKJIZGLC-UHFFFAOYSA-NDTXSID601020245tert-butyl 2-(aminocarbonyl)-4-fluoropyrrolidine-1-carboxylateSB48282920009-84-3tert-butyl 2-carbamoyl-4-fluoropyrrolidine-1-carboxylate1-aPyrrolidinecarboxyliac acid, 2-a(aminocarbonyl)a-a4-afluoro-a, 1,a1-adimethylethyl ester

Database identifiers

CAS
920009-84-3
PubChem CID
17856474
DTXSID
DTXSID601020245

Properties

Computed structural propertiesFilling in

XLogP
0.6
Topological polar surface area
72.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
301

Related reactions

7 records
New reaction record
HRID 151274 reaction equation
HRID 151274As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 945349 reaction equation
HRID 945349As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1124776 reaction equation
HRID 1124776As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1224185 reaction equation
HRID 1224185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1367115 reaction equation
HRID 1367115As reactantuspto-grants-2011_02
HRID 1567695 reaction equation
HRID 1567695As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2311232 reaction equation
HRID 2311232As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes