chempirical

Boc-orn(boc)-oh

C15H28N2O6CAS 57133-29-6332.40 g/mol

Open in Covalent MOL file
OONHOOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C15H28N2O6
Molar mass
332.40 g/mol
Exact mass
332.1947 Da
logP
2.27Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
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
57133-29-6
SMILES
CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChIKey
RJOJSMIZZYHNQG-JTQLQIEISA-N
InChI
InChI=1S/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)/t10-/m0/s1

Weigh it out

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

Work with Boc-orn(boc)-oh

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

(2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-792 % similar Boc-lys(ac)-oh6404-26-876 % similar Boc-orn-oh21887-64-972 % similar Boc-L-6-hydroxynorleucine77611-37-172 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-571 % similar Boc-D-nva-oh57521-85-471 % similar Z-Ndelta-Boc-L-ornithine7733-29-171 % similar Boc-D-lys-oh106719-44-270 % similar

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

Elsewhere

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