1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C12H19F3N2O3 — CID 106978268

IUPAC1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-3-5-11(9(18)19)6-4-7-17(11)10(20)16(2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyAJQXRKYVQHGGMQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.32
Rot. Bonds4

About 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978268) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978268
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-3-5-11(9(18)19)6-4-7-17(11)10(20)16(2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyAJQXRKYVQHGGMQ-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 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978268) is 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is AJQXRKYVQHGGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-3-5-11(9(18)19)6-4-7-17(11)10(20)16(2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19).
What are the key properties of 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-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 1-[methyl(2,2,2-trifluoroethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).