N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid

C₁₀H₁₉NO₅CAS 102507-13-1233.26 g/mol

Open in Covalent MOL file

Alcohol Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₉NO₅
Molar mass: 233.26 g/mol
Exact mass: 233.1263 Da
logP: 0.74Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

102507-13-1

SMILES

CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)O

InChIKey

SZVRVSZFEDIMFM-ZCFIWIBFSA-N

InChI

InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1

Weigh it out

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

Work with N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid

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

Boc-D-alpha-T-butylglycine124655-17-072 % similar Boc-dl-alanine3744-87-461 % similar Boc-D-valine22838-58-057 % similar Boc-dl-valine54895-12-457 % similar Boc-D-thr(tbu)-oh201217-86-957 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-256 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-956 % similar Boc-D-abu-oh45121-22-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

T-Boc-N-amido-peg1-acid1260092-44-1 (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxy-2-methylpropanoate188476-28-0 N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-3 Methyl N-(tert-butoxycarbonyl)-L-threoninate79479-07-5 N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-3

Elsewhere

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