Structure Database (LMSD)

OH O NH 2
Common Name
4-amino-pentanoic acid
Systematic Name
4-amino-pentanoic acid
Synonyms
  • Pentanoic acid, 4-amino-, (1)-
  • Valeric acid, 4-amino-, (1)-
  • (1)-4-Aminopentanoic acid
  • (RS)-4-Aminopentanoic acid
  • (RS)-4-Methyl-gamma-aminobutyric acid
LM ID
LMFA01100023
Formula
C5H11NO2
Exact Mass
Calculate m/z
117.078979
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
ABSTXSZPGHDTAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
SMILES (Click to copy)
C(CCC(N)C)(=O)O

References

Other Databases

LIPIDAT ID
2327
CHEBI ID
178408
PubChem CID
223130

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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