chempirical

L-Alanyl-L-alanine

C6H12N2O3CAS 1948-31-8160.17 g/mol

Open in Covalent MOL file
H2NONHOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C6H12N2O3
Molar mass
160.17 g/mol
Exact mass
160.0848 Da
Melting point
297 °C (decomposes)
logP
-0.24Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
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
1948-31-8
SMILES
C[C@H](N)C(O)=N[C@@H](C)C(=O)O
InChIKey
DEFJQIDDEAULHB-IMJSIDKUSA-N
InChI
InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1

Weigh it out

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

Names and synonyms

25 names · show all
  • L-Alanine, L-alanyl-
  • Alanine, N-L-alanyl-, L-
  • L-Alanine, N-L-alanyl-
  • Dialanine
  • α-Alanylalanine
  • Di-L-alanine
  • NSC 89598
  • 124: PN: WO2006024694 SEQID: 124 claimed protein
  • 18: PN: US20100215657 SEQID: 18 claimed protein
  • 73: PN: US20110195077 SEQID: 18 claimed sequence
  • 14: PN: WO2014063098 TABLE: 5 claimed protein
  • 11: PN: WO2011146121 PAGE: 113 claimed sequence
  • 10: PN: WO2013027191 SEQID: 18 claimed sequence
  • 109: PN: US20130123467 SEQID: 133 claimed protein
  • 1: PN: WO2013168108 PAGE: 128 claimed sequence
  • 9: PN: WO2014102104 SEQID: 108 claimed protein
  • 9: PN: WO2014102101 SEQID: 309 claimed protein
  • 49: PN: WO2014102103 TABLE: 1 claimed protein
  • 28: PN: WO2014102100 TABLE: 1 claimed protein
  • 8: PN: WO2016088059 SEQID: 18 claimed sequence
  • 3: PN: WO2016096741 SEQID: 26 claimed protein
  • DNA (synthetic CD8 antigen transmembrane domain)
  • 25: PN: WO2018040537 SEQID: 43 claimed DNA
  • 3: PN: JP2019112401 FIGURE: 3 claimed sequence
  • 3: PN: WO2020009548 SEQID: 3 claimed protein

Work with L-Alanyl-L-alanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Alanyl-D-alanine923-16-0Enantiomer DL-Alanyl-DL-alanine2867-20-1Stereo not defined

Similar compounds

DL-Alanyl-DL-leucine1999-42-459 % similar L-Alanyl-L-leucine3303-34-259 % similar L-Leucyl-L-alanine7298-84-259 % similar Alanine302-72-755 % similar D-Alanine338-69-255 % similar Alanine56-41-755 % similar Glycyl-L-alanine3695-73-654 % similar N-Glycylalanine926-77-254 % similar

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

Same formula

Daminozide1596-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook