Structure Database (LMSD)

Common Name
2S-amino-3-oxo-butanoic acid
Systematic Name
2S-amino-3-oxo-butanoic acid
Synonyms
  • L-2-Amino-3-oxobutanoic acid
LM ID
LMFA01060172
Status
Active
Exact Mass
Calculate m/z
117.042594
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
SAUCHDKDCUROAO-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1
SMILES (Click to copy)
[C@@H](N)(C(=O)O)C(=O)C

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 109.85
Topological Polar Surface Area 80.39
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP -0.73
Molar Refractivity 26.80

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Created at
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Updated at
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