chempirical

N-Neopentylidene-L-valine ethyl ester

C12H23NO2CAS 3399-17-5213.32 g/mol

Open in Covalent MOL file
OON
EsterImine

Properties

Molecular formula
C12H23NO2
Molar mass
213.32 g/mol
Exact mass
213.1729 Da
logP
2.69Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
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
3399-17-5
SMILES
CCOC(=O)[C@H](C(C)C)N=CC(C)(C)C
InChIKey
MJLSVSIOEOGIJS-JTQLQIEISA-N
InChI
InChI=1S/C12H23NO2/c1-7-15-11(14)10(9(2)3)13-8-12(4,5)6/h8-10H,7H2,1-6H3/t10-/m0/s1

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Work with N-Neopentylidene-L-valine ethyl ester

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

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

Elsewhere

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