10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid

C24H45NO4 — CID 150496556

IUPAC10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
SMILESO=C(O)CCCCCCCCCC1CCN(CCCCCCCCCC(=O)O)C1
InChIInChI=1S/C24H45NO4/c26-23(27)16-12-8-4-1-3-7-11-15-22-18-20-25(21-22)19-14-10-6-2-5-9-13-17-24(28)29/h22H,1-21H2,(H,26,27)(H,28,29)
InChIKeyHWXGBQPTGAMAFK-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.11
Rot. Bonds20

About 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid

10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid (PubChem CID 150496556) has the molecular formula C24H45NO4 and a molecular weight of 411.63 g/mol. Its IUPAC name is 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid.

Molecular Properties

Compound Name10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
PubChem CID150496556
Molecular FormulaC24H45NO4
Molecular Weight411.63 g/mol
Exact Mass411.33
IUPAC Name10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
SMILESO=C(O)CCCCCCCCCC1CCN(CCCCCCCCCC(=O)O)C1
InChIInChI=1S/C24H45NO4/c26-23(27)16-12-8-4-1-3-7-11-15-22-18-20-25(21-22)19-14-10-6-2-5-9-13-17-24(28)29/h22H,1-21H2,(H,26,27)(H,28,29)
InChIKeyHWXGBQPTGAMAFK-UHFFFAOYSA-N
XLogP6.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-ethylpiperidin-4-yl)pentanoic acid
CID 165463146
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
6-(3-propylazetidin-1-yl)hexanoic acid
CID 79686619
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82892628
3-butyl-1-hexylpyrrolidine
CID 171570679
6-(aziridin-1-yl)hexanoic acid
CID 141385441
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
8-cyclobutyloctanoic acid
CID 72551210
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanehydrazide
CID 114801983
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid?
The IUPAC name of 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid (CID 150496556) is 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid.
What is the SMILES notation for 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid?
The canonical SMILES for 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid is O=C(O)CCCCCCCCCC1CCN(CCCCCCCCCC(=O)O)C1.
What is the InChIKey of 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid?
The InChIKey is HWXGBQPTGAMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO4/c26-23(27)16-12-8-4-1-3-7-11-15-22-18-20-25(21-22)19-14-10-6-2-5-9-13-17-24(28)29/h22H,1-21H2,(H,26,27)(H,28,29).
What are the key properties of 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid?
10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid has a molecular weight of 411.63 g/mol, XLogP of 6.11, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid is sourced from PubChem (CID 150496556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).