Boc-D-alpha-T-butylglycine

C₁₁H₂₁NO₄CAS 124655-17-0231.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₁H₂₁NO₄
Molar mass: 231.29 g/mol
Exact mass: 231.1471 Da
logP: 2.01Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
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 2 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

124655-17-0

SMILES

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

InChIKey

LRFZIPCTFBPFLX-ZETCQYMHSA-N

InChI

InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m0/s1

Weigh it out

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

Work with Boc-D-alpha-T-butylglycine

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.

N-tert-Butoxycarbonyl-L-tert-leucine62965-35-9Enantiomer

Similar compounds

N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-172 % similar Boc-dl-alanine3744-87-464 % similar Boc-D-valine22838-58-061 % similar Boc-dl-valine54895-12-461 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-259 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-959 % similar Boc-D-abu-oh45121-22-059 % similar Boc-D-cyclopropylglycine609768-49-259 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-1 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 Boc-L-beta-homovaline183990-64-9 Boc-N-methyl-L-valine45170-31-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0 Boc-D-isoleucine55721-65-8

Elsewhere

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