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

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

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

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

Similar compounds

N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol106946-74-169 % similar N-Boc-L-cyclohexylglycinol107202-39-167 % similar Boc-D-leucinol106930-51-260 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-157 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-054 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-153 % similar Boc-L-phenylglycinol117049-14-652 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-751 % similar

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

Same formula

1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-4 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate79069-14-0

Elsewhere

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