tert-Butyl N-(2-oxoethyl)carbamate

C₇H₁₃NO₃CAS 89711-08-0159.18 g/mol

Open in Covalent MOL file

Aldehyde Carbamate

Properties

Molecular formula: C₇H₁₃NO₃
Molar mass: 159.18 g/mol
Exact mass: 159.0895 Da
logP: 0.71Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

89711-08-0

SMILES

CC(C)(C)OC(=O)NCC=O

InChIKey

ACNRTYKOPZDRCO-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO3/c1-7(2,3)11-6(10)8-4-5-9/h5H,4H2,1-3H3,(H,8,10)

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Names and synonyms

1 names

N-Boc-2-aminoacetaldehyde

Work with tert-Butyl N-(2-oxoethyl)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

1,7-Bis-boc-1,4,7-triazaheptane117499-16-856 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-153 % similar tert-Butyl N-(2-oxopropyl)carbamate170384-29-953 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-253 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-553 % similar N-(tert-Butoxycarbonyl)-2-aminoethanethiol67385-09-553 % similar Boc-glycine hydrazide6926-09-653 % similar N-(tert-Butoxycarbonyl)-2-aminoacetonitrile85363-04-851 % similar

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

Same formula

Ethyl morpholine-2-carboxylate107904-06-3 Isovalerylglycine16284-60-9 N-Acetyl-D-valine17916-88-0 N-Acetylvaline3067-19-4 3-Morpholin-4-yl-propionic acid4497-04-5 4'-Tetrahydropyranylglycine53284-84-7 N-Formyl-L-leucine6113-61-7 2-Acetamidopentanoic acid7682-15-7

Elsewhere

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