2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H19F3N2O3 — CID 83070845

IUPAC2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)5-4-7-17(11)10(20)16(2)8-6-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyFAWDHGYRKNPHMA-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.32
Rot. Bonds4

About 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83070845) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83070845
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)5-4-7-17(11)10(20)16(2)8-6-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyFAWDHGYRKNPHMA-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-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-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
2-ethyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 103309279
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[methyl(oxan-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83064847
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063998
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83070845) is 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FAWDHGYRKNPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)5-4-7-17(11)10(20)16(2)8-6-12(13,14)15/h3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).