1-methylpyrrolidine-3-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 42958928

IUPAC1-methylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCN1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-7-3-2-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKeyJFWLEGORBDKYIG-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.44
Rot. Bonds1

About 1-methylpyrrolidine-3-carboxylic acid;hydrochloride

1-methylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 42958928) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 1-methylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID42958928
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name1-methylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCN1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-7-3-2-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H
InChIKeyJFWLEGORBDKYIG-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-methylpyrrolidine-3-carboxylic acid;hydrochloride (CID 42958928) is 1-methylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methylpyrrolidine-3-carboxylic acid;hydrochloride is CN1CCC(C(=O)O)C1.Cl.
What is the InChIKey of 1-methylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is JFWLEGORBDKYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-7-3-2-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H.
What are the key properties of 1-methylpyrrolidine-3-carboxylic acid;hydrochloride?
1-methylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 42958928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).