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
Formula
Exact Mass
Calculate m/z
145.110279
Status
Active

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

Other Databases

LIPIDAT ID
2293
CHEBI ID
PubChem CID
PDB ID

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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