1-Aminocyclooctanecarboxylic acid
PubChem CID
95194
Structure
Molecular Formula
Synonyms
- 1-Aminocyclooctanecarboxylic acid
- 28248-38-6
- 1-Amino-1-cyclooctanecarboxylic acid
- 1-Aminocyclooctane-1-carboxylic acid
- Cyclooctanecarboxylic acid, 1-amino-
Molecular Weight
171.24 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-04
Chemical Structure Depiction
1-aminocyclooctane-1-carboxylic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H17NO2/c10-9(8(11)12)6-4-2-1-3-5-7-9/h1-7,10H2,(H,11,12)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PJSQECUPWDUIBT-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CCCC(CCC1)(C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H17NO2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1-aminocyclooctanecarboxylic acid
- 1-Aminocyclooctanecarboxylic acid
- 28248-38-6
- 1-Amino-1-cyclooctanecarboxylic acid
- 1-Aminocyclooctane-1-carboxylic acid
- Cyclooctanecarboxylic acid, 1-amino-
- Cyclooctanecarboxylicacid, 1-amino-
- NSC 22851
- CB 1714
- BRN 2086994
- Q9KAQ2DU4W
- DTXSID50182502
- NSC-22851
- UNII-Q9KAQ2DU4W
- SCHEMBL62221
- 1-Aminocyclooctanecarboxylicacid
- DTXCID20104993
- 1-amino-cyclooctanecarboxylic acid
- 1-aminocyclooctane carboxylic acid
- NSC22851
- MFCD01318230
- AKOS000189532
- CB-1714
- DB-067900
- CS-0128167
- A19300
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
171.24 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
-0.8
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
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
171.125928785 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
171.125928785 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
63.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
160
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
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.
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=PJSQECUPWDUIBT-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/4.0/1-Aminocyclooctane-1-carboxylic acidhttps://commonchemistry.cas.org/detail?cas_rn=28248-38-6
- ChemIDplus1-Aminocyclooctanecarboxylic acidhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0028248386ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- 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-reuse1-Aminocyclooctanecarboxylic acidhttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22851
- EPA DSSTox1-Aminocyclooctanecarboxylic acidhttps://comptox.epa.gov/dashboard/DTXSID50182502
- 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#linking1-Aminocyclooctanecarboxylic acidhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q9KAQ2DU4W
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawCyclooctanecarboxylic acid, 1-amino-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseCyclooctanecarboxylic acid, 1-amino-https://spectrabase.com/spectrum/1CwRTD0OVKC1-aminocyclooctanecarboxylic acidhttps://spectrabase.com/spectrum/8VHOpuQHuoV1-AMINOCYCLOOCTANECARBOXYLIC ACIDhttps://spectrabase.com/spectrum/CZ66WSFcq4R
- Springer Nature
- Wikidata1-Aminocyclooctanecarboxylic acidhttps://www.wikidata.org/wiki/Q83053206
- 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.html1-aminocyclooctanecarboxylic acidhttps://www.ncbi.nlm.nih.gov/mesh/67014967
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403811794https://pubchem.ncbi.nlm.nih.gov/substance/403811794
CONTENTS