chempirical

Boc-L-leucinol

C11H23NO3CAS 82010-31-9217.31 g/mol

Open in Covalent MOL file
OHNHOO
AlcoholCarbamate

Properties

Molecular formula
C11H23NO3
Molar mass
217.31 g/mol
Exact mass
217.1678 Da
logP
1.92Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 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
82010-31-9
SMILES
CC(C)C[C@@H](CO)NC(=O)OC(C)(C)C
InChIKey
LQTMEOSBXTVYRM-VIFPVBQESA-N
InChI
InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1

Weigh it out

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

Work with Boc-L-leucinol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-D-leucinol106930-51-2Enantiomer

Similar compounds

tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-068 % similar Boc-L-beta-homoleucine132549-43-068 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-167 % similar tert-Butyl trans-(4-hydroxymethyl)cyclohexylcarbamate239074-29-463 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-162 % similar Boc-met-ol51372-93-160 % similar Boc-D-valinol106391-87-160 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-759 % similar

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

Same formula

N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol106946-74-1 tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-1

Elsewhere

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