Structure Database (LMSD)

Common Name
2,4-diamino-butyric acid
Systematic Name
2,4-diamino-butanoic acid
Synonyms
LM ID
LMFA01100052
Status
Active
Exact Mass
Calculate m/z
118.074228
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)
OGNSCSPNOLGXSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
SMILES (Click to copy)
C(=O)(O)C(N)CCN

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 114.70
Topological Polar Surface Area 89.34
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP -0.68
Molar Refractivity 30.28

Admin

Created at
-
Updated at
-