N-Butyryl-L-homoserine lactone

C8H13NO3CAS 67605-85-0171.20 g/mol

Open in Covalent MOL file
OHNOO
AmideEsterLactone

Properties

Molecular formula
C8H13NO3
Molar mass
171.20 g/mol
Exact mass
171.0895 Da
logP
0.22Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

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
67605-85-0
SMILES
CCCC(=O)N[C@H]1CCOC1=O
InChIKey
VFFNZZXXTGXBOG-LURJTMIESA-N
InChI
InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • N-[(3S)-Tetrahydro-2-oxo-3-furanyl]butanamide

Work with N-Butyryl-L-homoserine lactone

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

Ethyl D-(-)-pyroglutamate68766-96-161 % similar tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-548 % similar N-Cbz-L-homoserine lactone35677-89-541 % similar Propyl isobutyrate644-49-541 % similar Isoamyl butyrate106-27-440 % similar Butyl isobutyrate97-87-038 % similar Butyl butyryllactate7492-70-838 % similar Propyl (2S)-2-hydroxypropanoate53651-69-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(αS)-α-Ethyl-2-oxo-1-pyrrolidineacetic acid102849-49-0 Levetiracetam acid103833-72-3 1-Acetylpiperidine-4-carboxylic acid25503-90-6 1-(Ethoxycarbonyl)-4-piperidone29976-53-2 3-Carbethoxy-2-piperidone3731-16-6 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-4 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook