1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H16F3N3O4 — CID 63709090

IUPAC1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O4/c1-6(7(18)15-2)16-9(21)17-4-3-10(5-17,8(19)20)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyUMGMBKFVZKMOPI-UHFFFAOYSA-N
MW311.26 g/mol
LogP0.17
Rot. Bonds3

About 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709090) has the molecular formula C11H16F3N3O4 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709090
Molecular FormulaC11H16F3N3O4
Molecular Weight311.26 g/mol
Exact Mass311.11
IUPAC Name1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O4/c1-6(7(18)15-2)16-9(21)17-4-3-10(5-17,8(19)20)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyUMGMBKFVZKMOPI-UHFFFAOYSA-N
XLogP0.17
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709090) is 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CNC(=O)C(C)NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UMGMBKFVZKMOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O4/c1-6(7(18)15-2)16-9(21)17-4-3-10(5-17,8(19)20)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 311.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).