4-methylpyrrolidine-2-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 71952985

IUPAC4-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC1CNC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyVLDINRBTKBFNDD-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.49
Rot. Bonds1

About 4-methylpyrrolidine-2-carboxylic acid;hydrochloride

4-methylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 71952985) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 4-methylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID71952985
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name4-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC1CNC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyVLDINRBTKBFNDD-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride (CID 71952985) is 4-methylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylpyrrolidine-2-carboxylic acid;hydrochloride is CC1CNC(C(=O)O)C1.Cl.
What is the InChIKey of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is VLDINRBTKBFNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
4-methylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71952985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).