3-propylpyrrolidine-2-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 14482018

IUPAC3-propylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCCC1CCNC1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-3-6-4-5-9-7(6)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H
InChIKeyOVDBWKKZUGYDHI-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.27
Rot. Bonds3

About 3-propylpyrrolidine-2-carboxylic acid;hydrochloride

3-propylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 14482018) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-propylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-propylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID14482018
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-propylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCCC1CCNC1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-3-6-4-5-9-7(6)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H
InChIKeyOVDBWKKZUGYDHI-UHFFFAOYSA-N
XLogP1.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-propylpyrrolidine-2-carboxylic acid;hydrochloride (CID 14482018) is 3-propylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-propylpyrrolidine-2-carboxylic acid;hydrochloride is CCCC1CCNC1C(=O)O.Cl.
What is the InChIKey of 3-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is OVDBWKKZUGYDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-3-6-4-5-9-7(6)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of 3-propylpyrrolidine-2-carboxylic acid;hydrochloride?
3-propylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 14482018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).