D-Alanyl-D-alanine

C₆H₁₂N₂O₃CAS 923-16-0160.17 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₂N₂O₃
Molar mass: 160.17 g/mol
Exact mass: 160.0848 Da
Melting point: 120 °C
logP: -0.24Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: R, Rin 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

923-16-0

SMILES

C[C@@H](N)C(O)=N[C@H](C)C(=O)O

InChIKey

DEFJQIDDEAULHB-QWWZWVQMSA-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-/m1/s1

Weigh it out

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

Names and synonyms

5 names

D-Alanine, D-alanyl-
Alanine, N-D-alanyl-, D-
D-Alanine, N-D-alanyl-
H-D-Ala-D-ala-OH
N-[D-Alaninyl]-D-alanine

Work with D-Alanyl-D-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.

L-Alanyl-L-alanine1948-31-8Enantiomer 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

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