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(2R)-5-amino-2-{[(benzyloxy)carbonyl]amino}pentanoic acid
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ChemBase ID:
795884
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Molecular Formular:
C13H18N2O4
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Molecular Mass:
266.29302
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Monoisotopic Mass:
266.12665707
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SMILES and InChIs
SMILES:
C(=O)([C@@H](CCCN)NC(=O)OCc1ccccc1)O
Canonical SMILES:
NCCC[C@H](C(=O)O)NC(=O)OCc1ccccc1
InChI:
InChI=1S/C13H18N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey:
ZYGRWJVRLNJIMR-LLVKDONJSA-N
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Cite this record
CBID:795884 http://www.chembase.cn/molecule-795884.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R)-5-amino-2-{[(benzyloxy)carbonyl]amino}pentanoic acid
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IUPAC Traditional name
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(2R)-5-amino-2-{[(benzyloxy)carbonyl]amino}pentanoic acid
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Synonyms
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(R)-5-AMino-2-(((benzyloxy)carbonyl)aMino)pentanoic acid
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.6110759
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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-1.2597528
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LogD (pH = 7.4)
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-1.2564571
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Log P
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-1.2557732
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Molar Refractivity
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68.8885 cm3
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Polarizability
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27.191525 Å3
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Polar Surface Area
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101.65 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
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98%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent