1-azacyclopentadecene-3-carboxylic acid

C15H27NO2 — CID 175212156

IUPAC1-azacyclopentadecene-3-carboxylic acid
SMILESO=C(O)C1/C=N\CCCCCCCCCCCC1
InChIInChI=1S/C15H27NO2/c17-15(18)14-11-9-7-5-3-1-2-4-6-8-10-12-16-13-14/h13-14H,1-12H2,(H,17,18)/b16-13-
InChIKeyKWFLAAALDUAKNA-SSZFMOIBSA-N
MW253.39 g/mol
LogP4.06
Rot. Bonds1

About 1-azacyclopentadecene-3-carboxylic acid

1-azacyclopentadecene-3-carboxylic acid (PubChem CID 175212156) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-azacyclopentadecene-3-carboxylic acid.

Molecular Properties

Compound Name1-azacyclopentadecene-3-carboxylic acid
PubChem CID175212156
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-azacyclopentadecene-3-carboxylic acid
SMILESO=C(O)C1/C=N\CCCCCCCCCCCC1
InChIInChI=1S/C15H27NO2/c17-15(18)14-11-9-7-5-3-1-2-4-6-8-10-12-16-13-14/h13-14H,1-12H2,(H,17,18)/b16-13-
InChIKeyKWFLAAALDUAKNA-SSZFMOIBSA-N
XLogP4.06
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(cyclopentylamino)cyclopent-2-ene-1-carboxylic acid
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cyclooctadecane-1,7,13-tricarboxylic acid
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cyclohexanecarboxylic acid
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CID 173230696
CID 173230696
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
CID 53471629
CID 53471629
cycloheptanecarboxylic acid;indigane
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cyclohexanecarboxylic acid;octahydrate
CID 175413747

Frequently Asked Questions

What is the IUPAC name of 1-azacyclopentadecene-3-carboxylic acid?
The IUPAC name of 1-azacyclopentadecene-3-carboxylic acid (CID 175212156) is 1-azacyclopentadecene-3-carboxylic acid.
What is the SMILES notation for 1-azacyclopentadecene-3-carboxylic acid?
The canonical SMILES for 1-azacyclopentadecene-3-carboxylic acid is O=C(O)C1/C=N\CCCCCCCCCCCC1.
What is the InChIKey of 1-azacyclopentadecene-3-carboxylic acid?
The InChIKey is KWFLAAALDUAKNA-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H27NO2/c17-15(18)14-11-9-7-5-3-1-2-4-6-8-10-12-16-13-14/h13-14H,1-12H2,(H,17,18)/b16-13-.
What are the key properties of 1-azacyclopentadecene-3-carboxylic acid?
1-azacyclopentadecene-3-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclopentadecene-3-carboxylic acid is sourced from PubChem (CID 175212156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).