Molecule

ID:665

General Information
Structure
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Molecular Formula
C₁₅H₂₉N₃O₅
Molecular Mass
331.40786
Exact Mass
331.21072104
Charge
0
InChI
InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
InChIKey
OCSMOTCMPXTDND-OUAUKWLOSA-N
Canonic Smiles
ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)O
Isomeric Smiles
O[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)C(=O)NO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.08
LogD (pH = 5.5)
-0.06
Log P
-0.06
Rotatable Bonds
8
H Donor
5
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
8.61
Polar Surface Area
127.76
Polarizability
35.10
Molar Refractivity
84.20
LOG S
-2.79
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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