1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid

C14H28N2O2 — CID 55166168

IUPAC1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCN(CC)CC)C1
InChIInChI=1S/C14H28N2O2/c1-4-7-14(13(17)18)8-9-16(12-14)11-10-15(5-2)6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyXXCOZSSLFHSSCS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.90
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55166168) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55166168
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCN(CC)CC)C1
InChIInChI=1S/C14H28N2O2/c1-4-7-14(13(17)18)8-9-16(12-14)11-10-15(5-2)6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyXXCOZSSLFHSSCS-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid (CID 55166168) is 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCN(CC)CC)C1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is XXCOZSSLFHSSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-7-14(13(17)18)8-9-16(12-14)11-10-15(5-2)6-3/h4-12H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 256.39 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).