2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride

C8H16ClNO2 — CID 46736954

IUPAC2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)N1CCCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2,7(10)11)9-5-3-4-6-9;/h3-6H2,1-2H3,(H,10,11);1H
InChIKeyDWKKQUSRFLDTAG-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.37
Rot. Bonds2

About 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride

2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride (PubChem CID 46736954) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
PubChem CID46736954
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C)(C(=O)O)N1CCCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2,7(10)11)9-5-3-4-6-9;/h3-6H2,1-2H3,(H,10,11);1H
InChIKeyDWKKQUSRFLDTAG-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride (CID 46736954) is 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride is CC(C)(C(=O)O)N1CCCC1.Cl.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is DWKKQUSRFLDTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2,7(10)11)9-5-3-4-6-9;/h3-6H2,1-2H3,(H,10,11);1H.
What are the key properties of 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 46736954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).