Boc-D-valinol

C₁₀H₂₁NO₃CAS 106391-87-1203.28 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₀H₂₁NO₃
Molar mass: 203.28 g/mol
Exact mass: 203.1521 Da
logP: 1.53Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
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 40 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

106391-87-1

SMILES

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

InChIKey

OOQRRYDVICNJGC-QMMMGPOBSA-N

InChI

InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1

Weigh it out

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Names and synonyms

1 names

N-Boc-D-valino

Work with Boc-D-valinol

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.

1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-0Enantiomer

Similar compounds

N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol106946-74-169 % similar N-Boc-L-cyclohexylglycinol107202-39-167 % similar Boc-L-beta-homovaline183990-64-967 % similar N-Boc-D-cyclohexylglycinol188348-00-767 % similar N-Boc-beta-phenyl-L-phenylalaninol155836-47-860 % similar Boc-D-leucinol106930-51-260 % similar Boc-L-leucinol82010-31-960 % similar tert-Butyl trans-3-hydroxymethylcyclobutylcarbamate167081-37-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-4

Elsewhere

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