2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride

C8H16ClNO2 — CID 12778856

IUPAC2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride
SMILESCCN1CCCC1CC(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-9-5-3-4-7(9)6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKeyXHSWSRBJAGFBKZ-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.37
Rot. Bonds3

About 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride

2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride (PubChem CID 12778856) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride
PubChem CID12778856
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride
SMILESCCN1CCCC1CC(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-9-5-3-4-7(9)6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H
InChIKeyXHSWSRBJAGFBKZ-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride (CID 12778856) is 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride is CCN1CCCC1CC(=O)O.Cl.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride?
The InChIKey is XHSWSRBJAGFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-9-5-3-4-7(9)6-8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H.
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride?
2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 12778856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).