chempirical

L-Leucyl-L-leucine

C12H24N2O3CAS 3303-31-9244.33 g/mol

Open in Covalent MOL file
NHONH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C12H24N2O3
Molar mass
244.33 g/mol
Exact mass
244.1787 Da
Melting point
270 °C
logP
1.82Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
7
Stereocentres
S, 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
3303-31-9
SMILES
CC(C)C[C@H](N=C(O)[C@@H](N)CC(C)C)C(=O)O
InChIKey
LCPYQJIKPJDLLB-UWVGGRQHSA-N
InChI
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • L-Leucine, L-leucyl-
  • Leucine, N-L-leucyl-, L-
  • L-Leucine, N-L-leucyl-
  • Leucine, N-L-leucyl-
  • Leucylleucine
  • NSC 89185
  • 456: PN: EP2071334 SEQID: 488 claimed protein
  • 456: PN: WO2009077864 SEQID: 488 claimed protein
  • 11: PN: US20090239809 SEQID: 11 claimed protein
  • 38: PN: EP2161028 PAGE: 10 claimed protein
  • 2: PN: CN101845080 PAGE: 2 claimed protein
  • L-Leucinyl-L-leucine
  • 21: PN: WO2014134509 SEQID: 21 claimed sequence
  • 2: PN: CN110655554 PAGE: 2 claimed sequence
  • 10: PN: WO2020097235 SEQID: 239 claimed protein

Work with L-Leucyl-L-leucine

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

DL-Alanyl-DL-leucine1999-42-473 % similar L-Alanyl-L-leucine3303-34-273 % similar L-Leucyl-L-alanine7298-84-273 % similar D-Leucyl-L-tyrosine3303-29-567 % similar Leucyltyrosine968-21-867 % similar D-Leucine328-38-162 % similar Leucine328-39-262 % similar Leucine61-90-562 % similar

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

Same formula

Dimorpholinodiethyl ether6425-39-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook