chempirical

Boc-11-aminoundecanoic acid

C16H31NO4CAS 10436-25-6301.43 g/mol

Open in Covalent MOL file
OONHOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C16H31NO4
Molar mass
301.43 g/mol
Exact mass
301.2253 Da
logP
4.11Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
11

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
10436-25-6
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)O
InChIKey
HPTPZJBSQUULAV-UHFFFAOYSA-N
InChI
InChI=1S/C16H31NO4/c1-16(2,3)21-15(20)17-13-11-9-7-5-4-6-8-10-12-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)

Weigh it out

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

Names and synonyms

1 names
  • 11-((tert-Butoxycarbonyl)amino)undecanoic acid

Work with Boc-11-aminoundecanoic 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

7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-4100 % similar Boc-5-aminopentanoic acid27219-07-497 % similar 4-(((tert-Butoxy)carbonyl)amino)butanoic acid57294-38-988 % similar T-Boc-N-amido-peg1-acid1260092-44-168 % similar 21-(Boc-amino)-4,7,10,13,16,19-hexaoxaheneicosanoic acid882847-13-466 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-166 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-963 % similar 3-(Boc-amino)-1-propanol58885-58-861 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook