Structure Database (LMSD)

Common Name
4S-aminopentanoic acid
Systematic Name
4S-aminopentanoic acid
Synonyms
  • Pentanoic acid, 4-amino-, (S)-
  • (S)-4-Aminopentanoic acid
  • (S)-4-Aminovaleric acid
LM ID
LMFA01100022
Status
Active
Exact Mass
Calculate m/z
117.078979
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)
ABSTXSZPGHDTAF-BYPYZUCNSA-N
InChi (Click to copy)
InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
SMILES (Click to copy)
C(CC[C@@H](N)C)(=O)O

References

Other Databases

LIPIDAT ID
2326
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 121.00
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 0.48
Molar Refractivity 31.03

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Created at
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Updated at
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