4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 134690978

IUPAC4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN1CC(O)CC1(C)C(=O)O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-7(6(10)11)3-5(9)4-8(7)2;/h5,9H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyJIYODOUCISNAMR-UHFFFAOYSA-N
MW195.65 g/mol
LogP-0.05
Rot. Bonds1

About 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride

4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 134690978) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID134690978
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN1CC(O)CC1(C)C(=O)O.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-7(6(10)11)3-5(9)4-8(7)2;/h5,9H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyJIYODOUCISNAMR-UHFFFAOYSA-N
XLogP-0.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride (CID 134690978) is 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride is CN1CC(O)CC1(C)C(=O)O.Cl.
What is the InChIKey of 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is JIYODOUCISNAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-7(6(10)11)3-5(9)4-8(7)2;/h5,9H,3-4H2,1-2H3,(H,10,11);1H.
What are the key properties of 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride?
4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 134690978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).