Structure Database (LMSD)

Common Name
3-amino-isobutanoic acid
Systematic Name
3-amino-3-methyl-propionic acid
Synonyms
LM ID
LMFA01100054
Formula
Exact Mass
Calculate m/z
103.063329
Status
Active


Classification

String Representations

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman 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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Updated at
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