(Boc-aminooxy)acetic acid

C₇H₁₃NO₅CAS 42989-85-5191.18 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₇H₁₃NO₅
Molar mass: 191.18 g/mol
Exact mass: 191.0794 Da
logP: 0.53Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.6% of notifiers

Aggregated from 70 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

42989-85-5

SMILES

CC(C)(C)OC(=O)NOCC(=O)O

InChIKey

QBXODCKYUZNZCY-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO5/c1-7(2,3)13-6(11)8-12-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

Weigh it out

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

Work with (Boc-aminooxy)acetic 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

3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-108466-89-356 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-954 % similar (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-053 % similar Boc-5-aminopentanoic acid27219-07-453 % similar N-(tert-Butoxycarbonyl)glycylglycine31972-52-853 % similar tert-Butoxy acetic acid13211-32-052 % similar Boc-11-aminoundecanoic acid10436-25-651 % similar 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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