chempirical

(4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid

C11H19NO6CAS 72086-72-7261.27 g/mol

Open in Covalent MOL file
OONHOOHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C11H19NO6
Molar mass
261.27 g/mol
Exact mass
261.1212 Da
logP
0.92Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
72086-72-7
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC
InChIKey
ZAYAFKXUQMTLPL-ZETCQYMHSA-N
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(15)17-4)5-6-8(13)14/h7H,5-6H2,1-4H3,(H,12,16)(H,13,14)/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Boc-glu-ome

Work with (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic 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-D-glu-otbu73872-71-683 % similar Boc-L-glutamic acid2419-94-570 % similar Boc-D-glu-oh34404-28-970 % similar Boc-glu-nh218800-74-367 % similar Boc-L-serine methyl ester2766-43-066 % similar N-Alpha-t-Butyloxycarbonyl-D-glutamic acid benzyl ester34404-30-364 % similar Boc-3-iodo-D-alanine methyl ester170848-34-762 % similar Boc-asp-otbu34582-32-662 % similar

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

Same formula

(2Rs)-lotaustralin1973415-50-7 Boc-glu(ome)-oh45214-91-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook