chempirical

DL-Alanyl-DL-leucine

C9H18N2O3CAS 1999-42-4202.25 g/mol

Open in Covalent MOL file
NHONH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H18N2O3
Molar mass
202.25 g/mol
Exact mass
202.1317 Da
logP
0.79Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

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
1999-42-4
SMILES
CC(C)CC(N=C(O)C(C)N)C(=O)O
InChIKey
RDIKFPRVLJLMER-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

7 names
  • Leucine, alanyl-
  • Leucine, N-DL-alanyl-, DL-
  • DL-Leucine, N-DL-alanyl-
  • Alanylleucine
  • NSC 89664
  • 2-(2-Aminopropanamido)-4-methylpentanoic acid
  • 2-(2-Aminopropanoylamino)-4-methylpentanoic acid

Work with DL-Alanyl-DL-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

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.

L-Alanyl-L-leucine3303-34-2Defined stereoisomer

Similar compounds

L-Leucyl-L-leucine3303-31-973 % similar DL-Alanyl-DL-methionine1999-43-562 % similar Glycylleucine688-14-262 % similar Glycyl-L-leucine869-19-262 % similar Alanyl-glutamine39537-23-060 % similar L-Alanyl-L-alanine1948-31-859 % similar DL-Alanyl-DL-alanine2867-20-159 % similar D-Alanyl-D-alanine923-16-059 % similar

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

Same formula

1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-3 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-9 (3R,4R)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate148214-90-8 (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine190792-74-6 L-Leucyl-L-alanine7298-84-2

Elsewhere

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