azacyclohenicosane-2-carboxylic acid

C21H41NO2 — CID 22341743

IUPACazacyclohenicosane-2-carboxylic acid
SMILESO=C(O)C1CCCCCCCCCCCCCCCCCCCN1
InChIInChI=1S/C21H41NO2/c23-21(24)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22-20/h20,22H,1-19H2,(H,23,24)
InChIKeyXVQYHLWSDMXCML-UHFFFAOYSA-N
MW339.56 g/mol
LogP6.06
Rot. Bonds1

About azacyclohenicosane-2-carboxylic acid

azacyclohenicosane-2-carboxylic acid (PubChem CID 22341743) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is azacyclohenicosane-2-carboxylic acid.

Molecular Properties

Compound Nameazacyclohenicosane-2-carboxylic acid
PubChem CID22341743
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Nameazacyclohenicosane-2-carboxylic acid
SMILESO=C(O)C1CCCCCCCCCCCCCCCCCCCN1
InChIInChI=1S/C21H41NO2/c23-21(24)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22-20/h20,22H,1-19H2,(H,23,24)
InChIKeyXVQYHLWSDMXCML-UHFFFAOYSA-N
XLogP6.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
(2R)-piperidine-2-carboxylic acid
CID 10725378
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;silver
CID 87701112

Frequently Asked Questions

What is the IUPAC name of azacyclohenicosane-2-carboxylic acid?
The IUPAC name of azacyclohenicosane-2-carboxylic acid (CID 22341743) is azacyclohenicosane-2-carboxylic acid.
What is the SMILES notation for azacyclohenicosane-2-carboxylic acid?
The canonical SMILES for azacyclohenicosane-2-carboxylic acid is O=C(O)C1CCCCCCCCCCCCCCCCCCCN1.
What is the InChIKey of azacyclohenicosane-2-carboxylic acid?
The InChIKey is XVQYHLWSDMXCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c23-21(24)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-22-20/h20,22H,1-19H2,(H,23,24).
What are the key properties of azacyclohenicosane-2-carboxylic acid?
azacyclohenicosane-2-carboxylic acid has a molecular weight of 339.56 g/mol, XLogP of 6.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azacyclohenicosane-2-carboxylic acid is sourced from PubChem (CID 22341743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).