Molecule

ID:133617

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₅
Molecular Mass
149.10208
Exact Mass
149.03242233
Charge
0
InChI
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m1/s1
InChIKey
YYLQUHNPNCGKJQ-JCYAYHJZSA-N
Canonic Smiles
OC(=O)[C@@H]([C@H](C(=O)O)N)O
Isomeric Smiles
[C@@H]([C@H](C(=O)O)O)(C(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-7.61
LogD (pH = 5.5)
-6.31
Log P
-4.42
Rotatable Bonds
3
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
2.57
Polar Surface Area
120.85
Polarizability
12.12
Molar Refractivity
27.87
LOG S
0.30
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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