1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid

C9H13F3N2O3 — CID 63227780

IUPAC1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)2-3-13-8(17)14-4-1-6(5-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyWFKMXEYTKUCTNP-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.05
Rot. Bonds3

About 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid

1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63227780) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63227780
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)2-3-13-8(17)14-4-1-6(5-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyWFKMXEYTKUCTNP-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,3,3-trifluoropropylcarbamoyl)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-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011443
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
1-(3-methylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63958995
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106431697
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63227780) is 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)NCCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WFKMXEYTKUCTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)2-3-13-8(17)14-4-1-6(5-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid?
1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63227780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).