Structure database (LMSD)

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LM IDLMFA01100014
Common Name2S-aminoheptanoic acid
Systematic Name2S-aminoheptanoic acid
SynonymsHeptanoic acid, 2-amino-, (S)-; (S)-2-Aminoheptanoic acid; L-2-Aminoheptanoic
acid; L-Homonorleucine
Exact Mass
145.1103 (neutral)    Calculate m/z:
FormulaC7H15NO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassAmino fatty acids [FA0110]
LIPIDAT ID2293
PubChem CID5312965
CHEBI ID40682
InChIKeyRDFMDVXONNIGBC-LURJTMIESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C7H15NO2/c1-2-3-4-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
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SMILES
C([C@@H](N)CCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
155.60Topological Polar
Surface Area
63.32Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP1.26Molar
Refractivity
40.27