Boc-D-isoleucine

C11H21NO4CAS 55721-65-8231.29 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
55721-65-8
SMILES
CC[C@@H](C)[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
QJCNLJWUIOIMMF-HTQZYQBOSA-N
InChI
InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1

Weigh it out

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

Work with Boc-D-isoleucine

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.

tert-Butoxycarbonyl-L-isoleucine13139-16-7Enantiomer

Similar compounds

Boc-D-valine22838-58-068 % similar Boc-dl-valine54895-12-468 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-966 % similar Boc-D-abu-oh45121-22-066 % similar Boc-D-cyclopropylglycine609768-49-266 % similar Boc-L-cyclopentylglycine109183-72-463 % similar Boc-D-thr(tbu)-oh201217-86-963 % similar (3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-362 % 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-D-alpha-T-butylglycine124655-17-0 Boc-L-leucine13139-15-6 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

Elsewhere

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