chempirical

Benzyl (3-Oxopropyl)carbamate

C11H13NO3CAS 65564-05-8207.23 g/mol

Open in Covalent MOL file
OOHNO
AldehydeCarbamate

Properties

Molecular formula
C11H13NO3
Molar mass
207.23 g/mol
Exact mass
207.0895 Da
logP
1.50Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

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
65564-05-8
SMILES
C1=CC=C(C=C1)COC(=O)NCCC=O
InChIKey
PQMOZOQTXKMYSK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO3/c13-8-4-7-12-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6,8H,4,7,9H2,(H,12,14)

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Names and synonyms

1 names
  • 3-[(Benzyloxycarbonyl)amino]propionaldehyde

Work with Benzyl (3-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

Benzyl N-(2-hydroxyethyl)carbamate77987-49-666 % similar Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-163 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-461 % similar N-Carbobenzoxyaminoacetonitrile3589-41-160 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-957 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-456 % similar N-Benzyloxycarbonylglycine thioamide49548-40-552 % similar N6-Carbobenzoxy-L-lysine N-carboxyanhydride1676-86-450 % similar

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

Same formula

(-)-N-Acetylphenylalanine10172-89-1 Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate120974-97-2 Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-6 (3,4,5-Trimethoxyphenyl)acetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 4-Benzyl-2-hydroxy-morpholin-3-one287930-73-8 N-Acetyl-DL-phenylalanine2901-75-9

Elsewhere

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