2-ethyl-1-propylpyrrolidine-3-carboxylic acid

C10H19NO2 — CID 170133391

IUPAC2-ethyl-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(C(=O)O)C1CC
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-5-8(10(12)13)9(11)4-2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyAZIIHGIQJFLEGF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds4

About 2-ethyl-1-propylpyrrolidine-3-carboxylic acid

2-ethyl-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 170133391) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-propylpyrrolidine-3-carboxylic acid
PubChem CID170133391
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-ethyl-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(C(=O)O)C1CC
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-5-8(10(12)13)9(11)4-2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyAZIIHGIQJFLEGF-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-1-propylpyrrolidine-3-carboxylic acid (CID 170133391) is 2-ethyl-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-1-propylpyrrolidine-3-carboxylic acid is CCCN1CCC(C(=O)O)C1CC.
What is the InChIKey of 2-ethyl-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is AZIIHGIQJFLEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-6-11-7-5-8(10(12)13)9(11)4-2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-1-propylpyrrolidine-3-carboxylic acid?
2-ethyl-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 170133391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).