1-ethylpyrrolidine-3-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 137318666

IUPAC1-ethylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCCN1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-8-4-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyABJDDGSWXCGRKK-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.83
Rot. Bonds2

About 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride

1-ethylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 137318666) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-ethylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID137318666
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1-ethylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCCN1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-8-4-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyABJDDGSWXCGRKK-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride (CID 137318666) is 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride is CCN1CCC(C(=O)O)C1.Cl.
What is the InChIKey of 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is ABJDDGSWXCGRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-8-4-3-6(5-8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride?
1-ethylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 137318666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).