1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 86775393

IUPAC1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC1C(C(=O)O)CCN1C.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-6(7(9)10)3-4-8(5)2;/h5-6H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyZDJKUVBORQJPLQ-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.83
Rot. Bonds1

About 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride

1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 86775393) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID86775393
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC1C(C(=O)O)CCN1C.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-6(7(9)10)3-4-8(5)2;/h5-6H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyZDJKUVBORQJPLQ-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride (CID 86775393) is 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride is CC1C(C(=O)O)CCN1C.Cl.
What is the InChIKey of 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is ZDJKUVBORQJPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-5-6(7(9)10)3-4-8(5)2;/h5-6H,3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 86775393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).