6-Acetamido-2-aminohexanoic acid
PubChem CID
265949
Structure
Molecular Formula
Synonyms
- 6-acetamido-2-aminohexanoic acid
- 1071-49-4
- 2-amino-6-acetamidohexanoic acid
- LYSINE, N6-ACETYL-
- NSC-102777
Molecular Weight
188.22 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Description
6-Acetamido-2-aminohexanoic acid is an alpha-amino acid.
6-Acetamido-2-azaniumylhexanoate has been reported in Phaseolus vulgaris with data available.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-DL-Lys(Ac)-OH
Sequence
X
HELM
PEPTIDE1{[CC(=O)NCCCCC(C(=O)O)N]}$$$$
IUPAC
N6-acetyl-DL-lysine
6-acetamido-2-aminohexanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
DTERQYGMUDWYAZ-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(=O)NCCCCC(C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C8H16N2O3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
692-04-6
1071-49-4
- 6-acetamido-2-aminohexanoic acid
- 1071-49-4
- 2-amino-6-acetamidohexanoic acid
- LYSINE, N6-ACETYL-
- NSC-102777
- Lysine impurity 23
- N6-DL-Acetyllysine
- NSC102777
- N6-Acetyl-DL-lysine
- epsilon-N-acetyl lysine
- DL-Lysine, N6-acetyl-
- 8TAD3L7HLL
- N-(epsilon)-acetyl-DL-lysine
- Acetamido-alpha-aminocaproic acid
- NEPSILON-ACETYL-DL-LYSINE
- CHEBI:181450
- AKOS006229865
- (2RS)-6-acetamido-2-aminohexanoic acid
- NS00008574
- NS00096396
- EN300-7501100
- DL-LYSINE ACETYLSALICYLATE IMPURITY E [EP IMPURITY]
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
188.22 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
-2.8
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
188.11609238 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
188.11609238 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
92.4 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
182
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
1
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 2019.01.04)
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.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DTERQYGMUDWYAZ-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI6-Acetamido-2-aminohexanoic acidhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:181450
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/6-Acetamido-2-azaniumylhexanoatehttps://www.wikidata.org/wiki/Q115948108LOTUS Treehttps://lotus.naturalproducts.net/
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingDL-Lysine, N<sup>6</sup>-acetyl-https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8TAD3L7HLL
- SpectraBaseN(.epsilon.)-Acetyl-lysinehttps://spectrabase.com/spectrum/50YdeW2uFw3
- Springer Nature
- 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/
- Wikidata6-Acetamido-2-aminohexanoic acidhttps://www.wikidata.org/wiki/Q115948108
- Wiley
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388472012https://pubchem.ncbi.nlm.nih.gov/substance/388472012
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