Boc-5-aminopentanoic acid

C₁₀H₁₉NO₄CAS 27219-07-4217.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₀H₁₉NO₄
Molar mass: 217.26 g/mol
Exact mass: 217.1314 Da
logP: 1.77Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 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

27219-07-4

SMILES

CC(C)(C)OC(=O)NCCCCC(=O)O

InChIKey

GFMRZAMDGJIWRB-UHFFFAOYSA-N

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)

Weigh it out

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

Names and synonyms

1 names

5-(((tert-Butoxy)carbonyl)amino)pentanoic acid

Work with Boc-5-aminopentanoic 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

Boc-11-aminoundecanoic acid10436-25-697 % similar 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-497 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-991 % similar T-Boc-N-amido-peg1-acid1260092-44-169 % similar 21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-468 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-965 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-163 % similar 3-(Boc-amino)-1-propanol58885-58-862 % similar

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

Same formula

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 Boc-N,2-dimethylalanine146000-39-7 tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-0 Boc-D-valine22838-58-0 Di-tert-butyl-iminodicarboxylate51779-32-9

Elsewhere

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