(9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamate
PubChem CID
10070832
Structure
Molecular Formula
Synonyms
- (9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamate
- 239088-22-3
- 9H-fluoren-9-ylmethyl N-decyl-N-(2-oxoethyl)carbamate
- 2-[N-(9-Fluorenylmethoxycarbonyl)-N-decylamino]ethanal
- N-Decyl-N-(2-oxoethyl)-9H-fluoren-9-ylmethyl Ester; Decyl(2-oxoethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester
Molecular Weight
421.6 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-10-25
- Modify:2025-01-25
Chemical Structure Depiction
SVG Image
IUPAC Condensed
Fmoc-N(decyl)Gly-al
Sequence
G
HELM
PEPTIDE1{[fmoc].[*N(CCCCCCCCCC)CC=O |$_R1;;;;;;;;;;;;;;$|]}$$$$
IUPAC
N-(fluorenylmethoxycarbonyl)-N-decyl-glycinal
9H-fluoren-9-ylmethyl N-decyl-N-(2-oxoethyl)carbamate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C27H35NO3/c1-2-3-4-5-6-7-8-13-18-28(19-20-29)27(30)31-21-26-24-16-11-9-14-22(24)23-15-10-12-17-25(23)26/h9-12,14-17,20,26H,2-8,13,18-19,21H2,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
AWGULBUAOMFSCY-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCCCCCCCCN(CC=O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C27H35NO3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- (9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamate
- 239088-22-3
- 9H-fluoren-9-ylmethyl N-decyl-N-(2-oxoethyl)carbamate
- 2-[N-(9-Fluorenylmethoxycarbonyl)-N-decylamino]ethanal
- N-Decyl-N-(2-oxoethyl)-9H-fluoren-9-ylmethyl Ester; Decyl(2-oxoethyl)-carbamic Acid 9H-Fluoren-9-ylmethyl Ester
- MFCD06411159
- N-FMOC-2-(n-decylamino)acetaldehyde
- Carbamic acid, decyl(2-oxoethyl)-, 9H-fluoren-9-ylmethyl ester
- N-Fmoc-decylaminoacetaldehyde
- SCHEMBL307644
- DTXSID70435163
- BCP20598
- BBL102990
- FD6005
- STL556799
- AKOS016014211
- AC-25884
- MS-20532
- CS-0320630
- 9H-fluoren-9-ylmethyl decyl(2-oxoethyl)carbamate
- (9H-FLUOREN-9-YL)METHYLDECYL(2-OXOETHYL)CARBAMATE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
421.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
7.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
421.26169398 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
421.26169398 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
46.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
31
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
515
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AWGULBUAOMFSCY-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/9H-Fluoren-9-ylmethyl N-decyl-N-(2-oxoethyl)carbamatehttps://commonchemistry.cas.org/detail?cas_rn=239088-22-3
- EPA DSSTox(9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamatehttps://comptox.epa.gov/dashboard/DTXSID70435163
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata(9H-Fluoren-9-yl)methyl decyl(2-oxoethyl)carbamatehttps://www.wikidata.org/wiki/Q72478826
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403859565https://pubchem.ncbi.nlm.nih.gov/substance/403859565
CONTENTS