chempirical

Albizziin

C4H9N3O3CAS 1483-07-4147.13 g/mol

Open in Covalent MOL file
NH2ONHNH2OOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H9N3O3
Molar mass
147.13 g/mol
Exact mass
147.0644 Da
Melting point
214–215 °C
logP
-1.52Crippen estimate
Polar surface area
119.4 Ų
H-bond donors / acceptors
5 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1483-07-4
SMILES
N=C(O)NC[C@H](N)C(=O)O
InChIKey
GZYFIMLSHBLMKF-REOHCLBHSA-N
InChI
InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1

Weigh it out

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Names and synonyms

12 names
  • L-Alanine, 3-[(aminocarbonyl)amino]-
  • Propionic acid, 2-amino-3-ureido-
  • Albizziine
  • Albizzine
  • 3-[(Aminocarbonyl)amino]-L-alanine
  • L-Albizziine
  • Albizzin
  • L-2-Amino-3-ureidopropionic acid
  • L-Albizziin
  • L-β-Ureidoalanine
  • NSC 132089
  • (2S)-2-Azaniumyl-3-(carbamoylamino)propanoate

Work with Albizziin

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

Citrulline372-75-867 % similar Citrulline627-77-067 % similar Homocitrulline1190-49-465 % similar Dencichine5302-45-459 % similar Beta-methylamino-L-alanine15920-93-156 % similar D-Arginine157-06-253 % similar (±)-Arginine7200-25-153 % similar Arginine74-79-353 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook