4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 56763825

IUPAC4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC1(C)CNCC1C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(2)4-8-3-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyBMXHOWOMKOCMKJ-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.74
Rot. Bonds1

About 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride

4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 56763825) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID56763825
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC1(C)CNCC1C(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-7(2)4-8-3-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKeyBMXHOWOMKOCMKJ-UHFFFAOYSA-N
XLogP0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride (CID 56763825) is 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride is CC1(C)CNCC1C(=O)O.Cl.
What is the InChIKey of 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is BMXHOWOMKOCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-7(2)4-8-3-5(7)6(9)10;/h5,8H,3-4H2,1-2H3,(H,9,10);1H.
What are the key properties of 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride?
4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 56763825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).