Boc-D-asparagine

C₉H₁₆N₂O₅CAS 75647-01-7232.24 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₆N₂O₅
Molar mass: 232.24 g/mol
Exact mass: 232.1059 Da
logP: -0.16Crippen estimate
Polar surface area: 118.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4
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 the 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

75647-01-7

SMILES

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

InChIKey

FYYSQDHBALBGHX-RXMQYKEDSA-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-/m1/s1

Weigh it out

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

Work with Boc-D-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.

tert-Butoxycarbonyl-L-asparagine7536-55-2Enantiomer

Similar compounds

Boc-D-glutamine61348-28-578 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-072 % similar Boc-D-aspartic acid62396-48-972 % similar Boc-dap-oh73259-81-172 % similar 3-Amino-N-(tert-butoxycarbonyl)-D-alanine76387-70-772 % similar Boc-D-abu-oh45121-22-069 % similar (2S)-4-Amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid25691-37-668 % similar (R)-N-Boc-propargylglycine63039-46-368 % 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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