Molecule

ID:2183

General Information
Structure
Molecular Formula
C₅H₁₀N₂O₄
Molecular Mass
162.1439
Exact Mass
162.06405681
Charge
0
InChI
InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
YVGZXTQJQNXIAU-VKHMYHEASA-N
Canonic Smiles
ONC(=O)CC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCC(=O)NO)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.02
LogD (pH = 5.5)
-4.00
Log P
-4.00
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.93
Polar Surface Area
112.65
Polarizability
14.59
Molar Refractivity
34.87
LOG S
0.53
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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