Structure database (LMSD)

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LM IDLMFA01100041
Common Name2S-amino-pentanoic acid
Systematic Name2S-amino-pentanoic acid
Synonyms(S)-2-Aminopentanoic acid
Exact Mass
117.0790 (neutral)    Calculate m/z:
FormulaC5H11NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
PubChem CID65098
KEGG IDC01826
CHEBI ID18314
InChIKeySNDPXSYFESPGGJ-BYPYZUCNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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SMILES
OC(=O)[C@@H](N)CCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings0Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
121.00Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP0.48Molar
Refractivity
31.03