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8-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}octanoic acid
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ChemBase ID:
38508
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Molecular Formular:
C23H27NO4
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Molecular Mass:
381.46478
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Monoisotopic Mass:
381.19400835
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SMILES and InChIs
SMILES:
C(CCCCCCC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
OC(=O)CCCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)
InChIKey:
QZQXRZXYWVQWAY-UHFFFAOYSA-N
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Cite this record
CBID:38508 http://www.chembase.cn/molecule-38508.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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8-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}octanoic acid
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IUPAC Traditional name
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8-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}octanoic acid
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Synonyms
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8-(Fmoc-amino)caprylic acid
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8-(Fmoc-amino)octanoic acid
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Fmoc-8-Aoc-OH
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Fmoc-8-aminooctanoic acid
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8-(芴甲氧羰基氨基)辛酸
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N-Fmoc-8-氨基辛酸
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CAS Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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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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4.931998
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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4.109035
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LogD (pH = 7.4)
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2.347174
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Log P
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4.7805014
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Molar Refractivity
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107.9416 cm3
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Polarizability
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43.20833 Å3
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Polar Surface Area
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75.63 Å2
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Rotatable Bonds
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11
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent