chempirical

1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

C11H17NO3CAS 198835-06-2211.26 g/mol

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OONO
CarbamateKetone

Properties

Molecular formula
C11H17NO3
Molar mass
211.26 g/mol
Exact mass
211.1208 Da
Melting point
96 °C
logP
1.58Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
198835-06-2
SMILES
CC(C)(C)OC(=O)N1CC2CC1CC2=O
InChIKey
YGENGNQEVDONGO-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-8H,4-6H2,1-3H3

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Names and synonyms

1 names
  • 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester

Work with 1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-553 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-051 % similar 1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate166410-05-544 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-944 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-244 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-644 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-744 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol118175-10-3 tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-5 Diethylamine salicylate4419-92-5 Metaproterenol586-06-1 Isoproterenol7683-59-2

Elsewhere

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