Structure Database (LMSD)

Common Name
2-Amino-4-methylpentanoic acid
Systematic Name
2-Amino-4-methylpentanoic acid
Synonyms
LM ID
LMFA01100048
Status
Active
Exact Mass
Calculate m/z
131.094629
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ROHFNLRQFUQHCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C(C(N)CC(C)C)(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 138.30
Topological Polar Surface Area 63.32
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 0.73
Molar Refractivity 35.58

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Created at
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Updated at
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