T-Boc-N-amido-peg1-acid

C₁₀H₁₉NO₅CAS 1260092-44-1233.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₉NO₅
Molar mass: 233.26 g/mol
Exact mass: 233.1263 Da
logP: 1.00Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1260092-44-1

SMILES

CC(C)(C)OC(=O)NCCOCCC(=O)O

InChIKey

YGNSGMAPLOVGIU-UHFFFAOYSA-N

InChI

InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-5-7-15-6-4-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)

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Work with T-Boc-N-amido-peg1-acid

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

21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-497 % similar 3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-108466-89-377 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-971 % similar Boc-5-aminopentanoic acid27219-07-469 % similar Boc-11-aminoundecanoic acid10436-25-668 % similar 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-468 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-667 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-265 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-1 (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxy-2-methylpropanoate188476-28-0 N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-3 Methyl N-(tert-butoxycarbonyl)-L-threoninate79479-07-5 N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-3

Elsewhere

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