N-acryloyl-L-alanine
PubChem CID
10419296
Structure
Molecular Formula
Synonyms
- n-acryloyl-l-alanine
- Acryloyl-l-alanine
- 19883-36-4
- SCHEMBL1647678
- CS-0209799
Molecular Weight
143.14 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2006-10-25
- Modify:2025-01-11
See also: n-Acryloylalanine (annotation moved to).
Chemical Structure Depiction
CCDC Number
Associated Article
Crystal Structure Data
SVG Image
IUPAC Condensed
acryloyl-Ala-OH
Sequence
A
HELM
PEPTIDE1{[C[C@@H](C(=O)O)NC(=O)C=C]}$$$$
IUPAC
N-acryloyl-L-alanine
(2S)-2-(prop-2-enoylamino)propanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C6H9NO3/c1-3-5(8)7-4(2)6(9)10/h3-4H,1H2,2H3,(H,7,8)(H,9,10)/t4-/m0/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
PPRBGMXQDAMDAB-BYPYZUCNSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C[C@@H](C(=O)O)NC(=O)C=C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H9NO3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
N-acryloyl-L-alanine
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
143.14 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
0.1
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
143.058243149 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
143.058243149 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
66.4 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
164
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
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 2011.04.04)
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 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)
n-Acryloylalanine (annotation moved to)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PPRBGMXQDAMDAB-BYPYZUCNSA-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
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlN-acryloyl-L-alaninehttps://www.ncbi.nlm.nih.gov/mesh/2009345
- PATENTSCOPE (WIPO)SID 403436557https://pubchem.ncbi.nlm.nih.gov/substance/403436557
CONTENTS