chempirical

6-[(tert-Butoxycarbonyl)amino]hexanoic acid

C11H21NO4CAS 6404-29-1231.29 g/mol

Open in Covalent MOL file
OONHOOH
Carboxylic acid

Properties

Molecular formula
C11H21NO4
Molar mass
231.29 g/mol
Exact mass
231.1471 Da
Melting point
36 °C
logP
2.36Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Identifiers

CAS number
6404-29-1
SMILES
CC(C)(C)OC(O)=NCCCCCC(=O)O
InChIKey
RUFDYIJGNPVTAY-UHFFFAOYSA-N
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

Weigh it out

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

Names and synonyms

17 names · show all
  • Hexanoic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-
  • Hexanoic acid, 6-(carboxyamino)-, N-tert-butyl ester
  • Hexanoic acid, 6-(carboxyamino)-, 6-tert-butyl ester
  • 6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid
  • N-(tert-Butyloxycarbonyl)-ε-aminocaproic acid
  • N-(tert-Butoxycarbonyl)-6-aminohexanoic acid
  • N-(tert-Butoxycarbonyl)-ε-aminohexanoic acid
  • tert-Butoxycarbonyl-ε-aminocaproic acid
  • N-(tert-Butoxycarbonyl)-ε-aminocaproic acid
  • N-(tert-Butoxycarbonyl)-6-aminocaproic acid
  • BOC-ε-aminocaproic acid
  • 6-[N-(tert-Butoxycarbonyl)amino]caproic acid
  • N-Boc-aminohexanoic acid
  • 6-(tert-Butoxycarbonylamino)caproic acid
  • Boc-6-aminohexanoic acid
  • 1-tert-Butoxycarbonylamino-6-hexanoic acid
  • N-BOC-6-aminocaproic acid

Work with 6-[(tert-Butoxycarbonyl)amino]hexanoic 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-β-alanine3303-84-277 % similar Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-666 % similar 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate756525-91-466 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-463 % similar N-(tert-Butoxycarbonyl)glycine4530-20-562 % similar N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-362 % similar N-Boc-1,6-diaminohexane51857-17-162 % similar N-tert-Butoxycarbonyl-1,6-diaminohexane hydrochloride65915-94-857 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-1 Boc-D-alpha-T-butylglycine124655-17-0 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0 N-tert-Butoxycarbonyl-L-tert-leucine62965-35-9 N-tert-Butoxycarbonyl-L-norleucine6404-28-0

Elsewhere

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