chempirical

tert-Butyl N-(2-oxopropyl)carbamate

C8H15NO3CAS 170384-29-9173.21 g/mol

Open in Covalent MOL file
ONHOO
CarbamateKetone

Properties

Molecular formula
C8H15NO3
Molar mass
173.21 g/mol
Exact mass
173.1052 Da
logP
1.10Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
170384-29-9
SMILES
CC(=O)CNC(=O)OC(C)(C)C
InChIKey
OZGMUQGCAFEQOX-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,11)

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Names and synonyms

1 names
  • Carbamic acid, (2-oxopropyl)-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl N-(2-oxopropyl)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 Boc-glycine N,O-dimethylhydroxamide121505-93-951 % similar N-Boc-(R)-1-amino-2-propanol119768-44-449 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-946 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-246 % similar (R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-845 % similar T-Boc-N-amido-peg1-acid1260092-44-143 % similar

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

Same formula

N-Acetyl-L-leucine1188-21-2 N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 N-Acetyl-D-leucine19764-30-8 N-Acetyl-L-isoleucine3077-46-1 Methyl 3-morpholinopropionate33611-43-7 Acexamic acid57-08-9

Elsewhere

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