3-Iodo-L-alanine
PubChem CID
22791921
Structure
Molecular Formula
Synonyms
- beta-Iodoalanine
- 3-Iodo-L-alanine
- DTXSID10628375
- 62965-18-8
- SCHEMBL939630
Molecular Weight
214.99 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2007-12-05
- Modify:2024-12-28
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-Ala(I)(I)-OH
Sequence
X
HELM
PEPTIDE1{[C([C@@H](C(=O)O)N)I]}$$$$
(2R)-2-amino-3-iodopropanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C3H6INO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
DIZAJUVUZKMLQL-REOHCLBHSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C([C@@H](C(=O)O)N)I
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C3H6INO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
62965-18-8
- beta-iodo-D-alanine
- beta-iodoalanine
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
214.99 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
-2.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
214.94433 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
214.94433 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
63.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
7
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
75.3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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)
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Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=DIZAJUVUZKMLQL-REOHCLBHSA-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/4.0/3-Iodo-L-alaninehttps://commonchemistry.cas.org/detail?cas_rn=34087-14-4
- EPA DSSTox3-Iodo-L-alaninehttps://comptox.epa.gov/dashboard/DTXSID10628375
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata3-Iodo-L-alaninehttps://www.wikidata.org/wiki/Q82534715
- Wiley
- 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.htmlbeta-iodoalaninehttps://www.ncbi.nlm.nih.gov/mesh/67030768
- PATENTSCOPE (WIPO)SID 389108278https://pubchem.ncbi.nlm.nih.gov/substance/389108278
CONTENTS