Structure Database (LMSD)

OH O NH 2 H 2 N
Common Name
2,5-Diaminopentanoic acid
Systematic Name
2,5-Diaminopentanoic acid
Synonyms
LM ID
LMFA01100057
Formula
C5H12N2O2
Exact Mass
Calculate m/z
132.089878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
AHLPHDHHMVZTML-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
SMILES (Click to copy)
C(C(N)CCCN)(=O)O

References

Other Databases

KEGG ID
C01602
CHEBI ID
18257
PubChem CID
389

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 132.00
Topological Polar Surface Area 89.34
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP -0.29
Molar Refractivity 34.90

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Created at
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Updated at
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