Structure Database (LMSD)

Common Name
2S-amino-butanoic acid
Systematic Name
2S-amino-butanoic acid
Synonyms
  • (S)-2-Aminobutanoic acid
LM ID
LMFA01100034
Formula
C4H9NO2
Exact Mass
Calculate m/z
103.063329
Status
Active
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Classification

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

String Representations

InChiKey (Click to copy)
QWCKQJZIFLGMSD-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
SMILES (Click to copy)
[C@H](N)(CC)C(=O)O

Other Databases

KEGG ID
C02356
HMDB ID
HMDB0000452
CHEBI ID
35619
PubChem CID
80283
Cayman ID
38750
PDB ID
ABA

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 103.70
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.09
Molar Refractivity 26.41

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Created at
-
Updated at
30th Jan 2023