Molecule

ID:131401

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₃
Molecular Mass
134.1338
Exact Mass
134.06914219
Charge
0
InChI
InChI=1S/C4H10N2O3/c1-2(7)3(5)4(8)6-9/h2-3,7,9H,5H2,1H3,(H,6,8)/t2-,3+/m0/s1
InChIKey
GDHYTCIGBOOCDX-STHAYSLISA-N
Canonic Smiles
ONC(=O)[C@@H]([C@@H](O)C)N
Isomeric Smiles
C[C@@H]([C@H](C(=O)NO)N)O
Calculated Properties
JChem
Acid pKa
8.769022
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-4.030598
LogD (pH = 7.4)
-2.4339907
Log P
-2.246753
Molar Refractivity
30.0466
Polarizability
12.203446
Polar Surface Area
95.58
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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