N-(tert-Butoxycarbonyl)glycylglycine

C₉H₁₆N₂O₅CAS 31972-52-8232.24 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: -0.29Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

31972-52-8

SMILES

CC(C)(C)OC(=O)NCC(=O)NCC(=O)O

InChIKey

HWBAHOVOSOAFLE-UHFFFAOYSA-N

InChI

InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-4-6(12)10-5-7(13)14/h4-5H2,1-3H3,(H,10,12)(H,11,15)(H,13,14)

Weigh it out

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

Work with N-(tert-Butoxycarbonyl)glycylglycine

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-glycine hydrazide6926-09-661 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-957 % similar Boc-5-aminopentanoic acid27219-07-456 % similar Boc-11-aminoundecanoic acid10436-25-655 % similar 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-455 % similar T-Boc-N-amido-peg1-acid1260092-44-153 % similar Boc-gly-leu-oh51871-42-253 % similar tert-Butyl N-(2-oxopropyl)carbamate170384-29-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butoxycarbonyl-L-asparagine7536-55-2 Boc-D-asparagine75647-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook