N-Acetyl-D-glutamic acid
PubChem CID
1560015
Structure
Molecular Formula
Synonyms
- 19146-55-5
- N-ACETYL-D-GLUTAMIC ACID
- (R)-2-Acetamidopentanedioic acid
- AC-D-GLU-OH
- (2R)-2-acetamidopentanedioic acid
Molecular Weight
189.17 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-07-11
- Modify:2025-01-11
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
SVG Image
IUPAC Condensed
Ac-D-Glu-OH
Sequence
E
PLN
[acetyl]-{d}E-OH
HELM
PEPTIDE1{[ac].[dE]}$$$$
IUPAC
N-acetyl-D-glutamic acid
(2R)-2-acetamidopentanedioic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m1/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
RFMMMVDNIPUKGG-RXMQYKEDSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(=O)N[C@H](CCC(=O)O)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C7H11NO5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
5817-08-3
19146-55-5
2618834-79-8
- 19146-55-5
- N-ACETYL-D-GLUTAMIC ACID
- (R)-2-Acetamidopentanedioic acid
- AC-D-GLU-OH
- (2R)-2-acetamidopentanedioic acid
- D-Glutamic acid, N-acetyl-
- N-acetyl-d-glu
- n-acetyl-d-glutamate
- 339072-10-5
- Glutamic acid, N-acetyl-
- MFCD00063196
- D-N-Acetyl Glutamic Acid
- SCHEMBL716411
- N-ACETYL D-GLUTAMIC ACID
- DTXSID70364404
- AKOS006275139
- AKOS015837755
- CS-W015957
- DS-1278
- FD21438
- HY-W015241
- AC-24112
- C22611
- J-012375
- BB76A796-76E5-4E5D-89F8-C7474070D238
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
189.17 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
-1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
189.06372245 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
189.06372245 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
104 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
225
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
1
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.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
EPA TSCA Commercial Activity Status
Glutamic acid, N-acetyl-: INACTIVE
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=RFMMMVDNIPUKGG-RXMQYKEDSA-N
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- The Cambridge Structural Database
- EPA Chemicals under the TSCAGlutamic acid, N-acetyl-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxN-ACETYL-D-GLUTAMIC ACIDhttps://comptox.epa.gov/dashboard/DTXSID70364404CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeN-Acetyl-D-glutamic acidhttps://echa.europa.eu/substance-information/-/substanceinfo/100.360.852
- Japan Chemical Substance Dictionary (Nikkaji)
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.html
- Springer Nature
- WikidataN-acetyl-D-glutamic acidhttps://www.wikidata.org/wiki/Q72435226
- PubChem
- PATENTSCOPE (WIPO)SID 388644444https://pubchem.ncbi.nlm.nih.gov/substance/388644444
CONTENTS