N-Butyryl-L-homoserine lactone

C₈H₁₃NO₃CAS 67605-85-0171.20 g/mol

Open in Covalent MOL file

Amide Ester Lactone

Properties

Molecular formula: C₈H₁₃NO₃
Molar mass: 171.20 g/mol
Exact mass: 171.0895 Da
logP: 0.22Crippen estimate
Polar surface area: 55.4 Å²
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

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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

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 Propyl lactate616-09-138 % 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-Acetyl-4-piperidinecarboxylic acid25503-90-6 1-(Ethoxycarbonyl)-4-piperidone29976-53-2 3-Carbethoxy-2-piperidone3731-16-6 tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-4 4-Oxo-piperidine-3-carboxylic acid ethyl ester67848-59-3

Elsewhere

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