1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid

C14H27NO4 — CID 103410884

IUPAC1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCOCCOC)C1
InChIInChI=1S/C14H27NO4/c1-3-5-14(13(16)17)6-8-15(12-14)7-4-9-19-11-10-18-2/h3-12H2,1-2H3,(H,16,17)
InChIKeyYOXYIFAMCYTEOT-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.62
Rot. Bonds10

About 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid

1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 103410884) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID103410884
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCCOCCOC)C1
InChIInChI=1S/C14H27NO4/c1-3-5-14(13(16)17)6-8-15(12-14)7-4-9-19-11-10-18-2/h3-12H2,1-2H3,(H,16,17)
InChIKeyYOXYIFAMCYTEOT-UHFFFAOYSA-N
XLogP1.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-(4-methylsulfanylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103090450
1-[4-(diethylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148499
1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63889960
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
1-(3-butoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107263583
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3-propylpiperidine-3-carboxylic acid
CID 106991436
1-(5-cyano-5-methylhexyl)-3-propylpyrrolidine-3-carboxylic acid
CID 106713211
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-[2-(4-bromophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152611
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid (CID 103410884) is 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCCOCCOC)C1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is YOXYIFAMCYTEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-5-14(13(16)17)6-8-15(12-14)7-4-9-19-11-10-18-2/h3-12H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 273.37 g/mol, XLogP of 1.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103410884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).