tert-Butoxycarbonyl-L-asparagine

C₉H₁₆N₂O₅CAS 7536-55-2232.24 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₉H₁₆N₂O₅
Molar mass: 232.24 g/mol
Exact mass: 232.1059 Da
Melting point: 182 °C
logP: 1.09Crippen estimate
Polar surface area: 123.2 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

7536-55-2

SMILES

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

InChIKey

FYYSQDHBALBGHX-YFKPBYRVSA-N

InChI

InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1

Weigh it out

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

Names and synonyms

18 names · show all

L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-
Asparagine, N2-carboxy-, N2-tert-butyl ester, L-
N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine
tert-Butyloxycarbonyl-L-asparagine
Nα-tert-Butoxycarbonyl-L-asparagine
N2-tert-Butoxycarbonyl-L-asparagine
N-(tert-Butoxycarbonyl)-L-asparagine
BOC-Asparagine
BOC-L-asparagine
Nα-(tert-Butoxycarbonyl)asparagine
(2S)-2-((tert-Butoxycarbonyl)amino)-3-carbamoylpropanoic acid
N-Boc-L-asparagine
NSC 154980
(S)-4-Amino-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid
Boc-L-asn-OH
(2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-carbamoylpropanoic acid
(2S)-4-Amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
N2-((tert-Butoxy)carbonyl)-L-asparagine

Work with tert-Butoxycarbonyl-L-asparagine

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.

Boc-D-asparagine75647-01-7Enantiomer

Similar compounds

Boc-L-glutamine13726-85-776 % similar N-(tert-Butoxycarbonyl)-L-aspartic acid13726-67-571 % similar Boc-L-serine3262-72-466 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-866 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-366 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-864 % similar Boc-L-leucine13139-15-663 % similar tert-Butoxycarbonyl-D-leucine16937-99-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butoxycarbonyl)glycylglycine31972-52-8

Elsewhere

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