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1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohexane-1-carboxylic acid
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ChemBase ID:
38492
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Molecular Formular:
C22H23NO4
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Molecular Mass:
365.42232
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Monoisotopic Mass:
365.16270822
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SMILES and InChIs
SMILES:
C1CCCCC1(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
O=C(NC1(CCCCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C22H23NO4/c24-20(25)22(12-6-1-7-13-22)23-21(26)27-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14H2,(H,23,26)(H,24,25)
InChIKey:
VCIVAWBKUQJNSX-UHFFFAOYSA-N
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Cite this record
CBID:38492 http://www.chembase.cn/molecule-38492.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohexane-1-carboxylic acid
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1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexane-1-carboxylic acid
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IUPAC Traditional name
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1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohexane-1-carboxylic acid
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Synonyms
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Fmoc-1-aminocyclohexane-1-carboxylic acid
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Fmoc-homocycloleucine
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1-(Fmoc-amino)cyclohexanecarboxylic acid
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1-(FMOC-AMINO)CYCLOHEXANECARBOXYLIC ACID
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1-(9-Fluorenylmethoxycarbonylamino)cyclohexanecarboxylic acid
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Fmoc-高环亮氨酸
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1-(Fmoc-氨基)环己羧酸
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CAS Number
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EC 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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3.817165
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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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2.8183517
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LogD (pH = 7.4)
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1.2495549
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Log P
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4.5039706
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Molar Refractivity
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101.1372 cm3
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Polarizability
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40.633385 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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5
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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