1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid

C24H55N9O2 — CID 176986817

IUPAC1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid
SMILESO=C(O)C1CCCCCCCCCCCCNNNNNNNNNCCCCCCCCCC1
InChIInChI=1S/C24H55N9O2/c34-24(35)23-19-15-11-7-3-1-2-5-9-13-17-21-25-27-29-31-33-32-30-28-26-22-18-14-10-6-4-8-12-16-20-23/h23,25-33H,1-22H2,(H,34,35)
InChIKeyPYQDQVVCCGKORN-UHFFFAOYSA-N
MW501.77 g/mol
LogP3.13
Rot. Bonds1

About 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid

1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid (PubChem CID 176986817) has the molecular formula C24H55N9O2 and a molecular weight of 501.77 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid
PubChem CID176986817
Molecular FormulaC24H55N9O2
Molecular Weight501.77 g/mol
Exact Mass501.45
IUPAC Name1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid
SMILESO=C(O)C1CCCCCCCCCCCCNNNNNNNNNCCCCCCCCCC1
InChIInChI=1S/C24H55N9O2/c34-24(35)23-19-15-11-7-3-1-2-5-9-13-17-21-25-27-29-31-33-32-30-28-26-22-18-14-10-6-4-8-12-16-20-23/h23,25-33H,1-22H2,(H,34,35)
InChIKeyPYQDQVVCCGKORN-UHFFFAOYSA-N
XLogP3.13
TPSA145.57 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.77
LogP ≤ 53.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclopentanecarboxylic acid;indigane
CID 173230713
chloromethane;cyclohexanecarboxylic acid
CID 160928112
4-hydroxycyclododecane-1-carboxylic acid
CID 23321574

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid?
The IUPAC name of 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid (CID 176986817) is 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid?
The canonical SMILES for 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid is O=C(O)C1CCCCCCCCCCCCNNNNNNNNNCCCCCCCCCC1.
What is the InChIKey of 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid?
The InChIKey is PYQDQVVCCGKORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H55N9O2/c34-24(35)23-19-15-11-7-3-1-2-5-9-13-17-21-25-27-29-31-33-32-30-28-26-22-18-14-10-6-4-8-12-16-20-23/h23,25-33H,1-22H2,(H,34,35).
What are the key properties of 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid?
1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid has a molecular weight of 501.77 g/mol, XLogP of 3.13, 1 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9-nonazacyclodotriacontane-20-carboxylic acid is sourced from PubChem (CID 176986817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).