Molecule

ID:50390

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c1-2-4-11-5-3-10-9(14)7(11)6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKey
UHIUOVAGCSAWNW-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCNC(=O)C1CC(=O)O
Isomeric Smiles
C1(C(=O)NCCN1CCC)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.5939348
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.9122338
LogD (pH = 7.4)
-3.1101787
Log P
-2.9167514
Molar Refractivity
50.6245
Polarizability
19.891874
Polar Surface Area
69.64
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
2-(3-oxo-1-propylpiperazin-2-yl)acetic acid|2-(3-Oxo-1-propyl-2-piperazinyl)acetic acid|(3-oxo-1-propylpiperazin-2-yl)acetic acid | Molfinder