(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

C7H14NO2+ — CID 7016563

IUPAC(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
SMILESC[N+]1(C)CCC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m1/s1
InChIKeyCMUNUTVVOOHQPW-ZCFIWIBFSA-O
MW144.19 g/mol
LogP0.31
Rot. Bonds1

About (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid

(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid (PubChem CID 7016563) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
PubChem CID7016563
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
SMILESC[N+]1(C)CCC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m1/s1
InChIKeyCMUNUTVVOOHQPW-ZCFIWIBFSA-O
XLogP0.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid?
The IUPAC name of (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid (CID 7016563) is (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid.
What is the SMILES notation for (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid?
The canonical SMILES for (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid is C[N+]1(C)CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid?
The InChIKey is CMUNUTVVOOHQPW-ZCFIWIBFSA-O. The full InChI is InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m1/s1.
What are the key properties of (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid?
(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid has a molecular weight of 144.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid is sourced from PubChem (CID 7016563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).