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Tert-butyl 2-((benzyloxy)carbonyl)propan-2-ylcarbamate

HCID 23077832
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)OCc1ccccc1
InChIKey
JSHOTYXGIXVRLN-UHFFFAOYSA-N
Molecular formula
C16H23NO4
Average molar mass
293.36 g/mol
Monoisotopic mass
293.16270821

Names & identifiers

Preferred name
Tert-butyl 2-((benzyloxy)carbonyl)propan-2-ylcarbamate
IUPAC
benzyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Names & synonyms

84758-57-6benzyl 2-((tert-butoxycarbonyl)amino)-2-methylpropanoatebenzyl 2-{[(tert-butoxy)carbonyl]amino}-2-methylpropanoatetert-butyl 2-((benzyloxy)carbonyl)propan-2-ylcarbamateMFCD24391914benzyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateBoc-Aib-ObzlSCHEMBL1728479JSHOTYXGIXVRLN-UHFFFAOYSA-NAKOS037646573AS-69655Benzyl 2-(Boc-amino)-2-methylpropanoate
Show more names
DA-41222tert butyloxycarbonyl-alpha-aminoisobutyrateDB-266736W15660benzyl 2-(tert-butoxycarbonylamino)-2-methylpropionatebenzyl 2-(tert-butoxycarbonylamino)-2-methyl-propanoatebenzyl2-((tert-butoxycarbonyl)amino)-2-methylpropanoateBenZyl 2-((t-butoxycarbonyl)amino)-2-methylpropanoate (Boc-Aib-OBZl)

Database identifiers

PubChem CID
23077832
Nikkaji
J1.539.305J

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
Formal charge
0
Complexity
365

Related reactions

6 records
New reaction record
HRID 185555 reaction equation
HRID 185555As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 230924 reaction equation
HRID 230924As productuspto-grants-2009_07
HRID 230925 reaction equation
HRID 230925As reactantuspto-grants-2009_07
HRID 939909 reaction equation
HRID 939909As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1442419 reaction equation
HRID 1442419As productuspto-grants-2010_02
HRID 2223636 reaction equation
HRID 2223636As productuspto-grants-2008_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes