Boc-D-leucinol

C₁₁H₂₃NO₃CAS 106930-51-2217.31 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₂₃NO₃
Molar mass: 217.31 g/mol
Exact mass: 217.1678 Da
logP: 1.92Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

106930-51-2

SMILES

CC(C)C[C@H](CO)NC(=O)OC(C)(C)C

InChIKey

LQTMEOSBXTVYRM-SECBINFHSA-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-/m1/s1

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Names and synonyms

1 names

tert-Butyl N-((2R)-1-hydroxy-4-methylpentan-2-yl)carbamate

Work with Boc-D-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-L-leucinol82010-31-9Enantiomer

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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