Structure Database (LMSD)

Common Name
2S-amino-tridecanoic acid
Systematic Name
2S-amino-tridecanoic acid
Synonyms
LM ID
LMFA01100001
Status
Active
Exact Mass
Calculate m/z
229.204179
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)
JZXHUPALAOUFMA-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)/t12-/m0/s1
SMILES (Click to copy)
C([C@@H](N)CCCCCCCCCCC)(=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 259.40
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.61
Molar Refractivity 67.97

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Created at
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Updated at
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