Structure Database (LMSD)

Common Name
2-amino-heptanoic acid
Systematic Name
2-amino-heptanoic acid
Synonyms
  • Heptanoic acid, 2-amino-, (1)-
  • Heptanoic acid, 2-amino-, DL-
  • (1)-2-Aminoheptanoic acid
  • alpha-DL-Aminoheptanoic acid
  • DL-Homonorleucine
LM ID
LMFA01100015
Formula
C7H15NO2
Exact Mass
Calculate m/z
145.110279
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
RDFMDVXONNIGBC-UHFFFAOYSA-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)
SMILES (Click to copy)
C(C(N)CCCCC)(=O)O

Other Databases

LIPIDAT ID
2294
HMDB ID
HMDB0094649
CHEBI ID
133223
PubChem CID
227939

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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