chempirical

(S)-tert-Butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

C18H26N2O2CAS 144282-37-1302.42 g/mol

Open in Covalent MOL file
OONHN
Tertiary amine

Properties

Molecular formula
C18H26N2O2
Molar mass
302.42 g/mol
Exact mass
302.1994 Da
logP
3.38Crippen estimate
Polar surface area
45.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
144282-37-1
SMILES
CC(C)(C)OC(O)=N[C@@H]1CN(Cc2ccccc2)CC12CC2
InChIKey
UCBLMUMETZZNIZ-OAHLLOKOSA-N
InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1

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Names and synonyms

4 names
  • Carbamic acid, N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, [(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester
  • 5-Azaspiro[2.4]heptane, carbamic acid deriv.

Work with (S)-tert-Butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

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

Boc-L-phenylalanine13734-34-448 % similar N-tert-Butoxycarbonyl-D-phenylalanine18942-49-948 % similar (2S,3S)-(-)-3-tert-Butoxycarbonylamino-1,2-epoxy-4-phenylbutane98737-29-248 % similar (2R,3S)-3-(tert-Butoxycarbonylamino)-1,2-epoxy-4-phenylbutane98760-08-848 % similar (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane127199-45-548 % similar N-Boc phenylalanyl chloride102123-74-047 % similar (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid101555-61-747 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-746 % similar

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

Elsewhere

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