1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid

C6H11NO2 — CID 163343007

IUPAC1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid
SMILES[2H]C([2H])([2H])N1CCC(C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/i1D3
InChIKeyLJGFIWDOHOWUOY-FIBGUPNXSA-N
MW132.18 g/mol
LogP0.02
Rot. Bonds2

About 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid

1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid (PubChem CID 163343007) has the molecular formula C6H11NO2 and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid
PubChem CID163343007
Molecular FormulaC6H11NO2
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid
SMILES[2H]C([2H])([2H])N1CCC(C(=O)O)C1
InChIInChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/i1D3
InChIKeyLJGFIWDOHOWUOY-FIBGUPNXSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-(trideuteriomethyl)piperidine-4-carboxamide
CID 140737186
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;dihydrochloride
CID 159086943
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-(trideuteriomethyl)pyrrolidin-3-amine
CID 171034745
(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
2,3,4,6,7,8,9,10-octahydro-1H-pyridazino[1,2-a]diazepine-3-carboxylic acid
CID 135290361

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid (CID 163343007) is 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid is [2H]C([2H])([2H])N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LJGFIWDOHOWUOY-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/i1D3.
What are the key properties of 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid?
1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 132.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 163343007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).