chempirical

N-Boc-(ethylamino)acetaldehyde

C9H17NO3CAS 315718-06-0187.24 g/mol

Open in Covalent MOL file
NOOO
AldehydeCarbamate

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
logP
1.44Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
315718-06-0
SMILES
CCN(CC=O)C(=O)OC(C)(C)C
InChIKey
FUPPSSYQZOOVBZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO3/c1-5-10(6-7-11)8(12)13-9(2,3)4/h7H,5-6H2,1-4H3

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Names and synonyms

1 names
  • tert-Butyl ethyl(2-oxoethyl)carbamate

Work with N-Boc-(ethylamino)acetaldehyde

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

N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-161 % similar N-Boc-(methylamino)acetaldehyde123387-72-460 % similar Boc-N-ethyl glycine149794-10-558 % similar tert-Butyl 3-formylazetidine-1-carboxylate177947-96-554 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-953 % similar tert-Butyl 3,6-dihydropyridine-1(2H)-carboxylate85838-94-453 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-451 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-851 % similar

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

Same formula

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 1-Boc-azetidine-3-ylmethanol142253-56-3 tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-9 tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-8

Elsewhere

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