Structure Database (LMSD)

Common Name
(S)-b-amino-isobutyric acid
Systematic Name
2S-methyl-3-amino-propanoic acid
Synonyms
LM ID
LMFA01100050
Formula
Exact Mass
Calculate m/z
103.063329
Status
Active

Classification

String Representations

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID
GuidePharm ID

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 2
logP -0.05
Molar Refractivity 26.34

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Created at
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Updated at
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