chempirical

(S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane

C11H20N2O2CAS 127199-45-5212.29 g/mol

Open in Covalent MOL file
OOHNNH
Secondary amine

Properties

Molecular formula
C11H20N2O2
Molar mass
212.29 g/mol
Exact mass
212.1525 Da
logP
1.47Crippen estimate
Polar surface area
53.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
127199-45-5
SMILES
CC(C)(C)OC(O)=N[C@@H]1CNCC12CC2
InChIKey
CGEBPOMWRHSMLI-MRVPVSSYSA-N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Carbamic acid, N-(7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester
  • Carbamic acid, 5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, (7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester
  • 5-Azaspiro[2.4]heptane, carbamic acid deriv.
  • (7S)-7-[(tert-Butoxycarbonyl)amino]-5-azaspiro[2.4]heptane
  • 7-(S)-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane

Work with (S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane

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

(R)-tert-Butyl pyrrolidin-3-ylcarbamate122536-77-052 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-051 % similar 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-850 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-649 % similar (S)-tert-Butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate144282-37-148 % similar 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-448 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-647 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-methylethyl]carbamate106391-86-045 % similar

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

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4 Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 Brivaracetam357336-20-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook