Structure Database (LMSD)

Common Name
2S-aminoheptanoic acid
Systematic Name
2S-aminoheptanoic acid
Synonyms
  • Heptanoic acid, 2-amino-, (S)-
  • (S)-2-Aminoheptanoic acid
  • L-2-Aminoheptanoic acid
  • L-Homonorleucine
LM ID
LMFA01100014
Status
Active
Exact Mass
Calculate m/z
145.110279
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)
RDFMDVXONNIGBC-LURJTMIESA-N
InChi (Click to copy)
InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
SMILES (Click to copy)
C([C@@H](N)CCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2293
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 155.60
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 1.26
Molar Refractivity 40.27

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Created at
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Updated at
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