chempirical

D-Alanine

C3H7NO2CAS 338-69-289.09 g/mol

Open in Covalent MOL file
H2NOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C3H7NO2
Molar mass
89.09 g/mol
Exact mass
89.0477 Da
Melting point
292 °C
logP
-0.58Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
338-69-2
SMILES
C[C@@H](N)C(=O)O
InChIKey
QNAYBMKLOCPYGJ-UWTATZPHSA-N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1

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Names and synonyms

10 names
  • Alanine, D-
  • Ba 2776
  • D-(-)-Alanine
  • D-α-Alanine
  • D(-)-α-Alanine
  • (R)-Alanine
  • NSC 158286
  • (2R)-2-Aminopropanoic acid
  • (R)-2-Aminopropanoic acid
  • 2: PN: RU2506269 PAGE: 13 claimed sequence

Work with 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

Similar compounds

Alanine56-41-7100 % similar L-Alanyl-L-alanine1948-31-855 % similar Dl-alanyl-dl-alanine2867-20-155 % similar D-Alanyl-D-alanine923-16-055 % similar D-Valine640-68-652 % similar Valine72-18-452 % similar Methylmalonic acid516-05-250 % similar Isobutyric acid79-31-250 % similar

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

Same formula

β-Alanine107-95-9 Sarcosine107-97-1 1-Nitropropane108-03-2 Lactamide2043-43-8 Alanine302-72-7 Ethyl carbamate51-79-6 Isopropyl nitrite541-42-4 Propyl nitrite543-67-9

Elsewhere

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