1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H11F3N4O3 — CID 107589209

IUPAC1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1cncnc1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)10(8(19)20)1-2-18(5-10)9(21)17-7-3-15-6-16-4-7/h3-4,6H,1-2,5H2,(H,17,21)(H,19,20)
InChIKeyFDXIRZZWDFYYNO-UHFFFAOYSA-N
MW304.23 g/mol
LogP1.35
Rot. Bonds2

About 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 107589209) has the molecular formula C11H11F3N4O3 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID107589209
Molecular FormulaC11H11F3N4O3
Molecular Weight304.23 g/mol
Exact Mass304.08
IUPAC Name1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1cncnc1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)10(8(19)20)1-2-18(5-10)9(21)17-7-3-15-6-16-4-7/h3-4,6H,1-2,5H2,(H,17,21)(H,19,20)
InChIKeyFDXIRZZWDFYYNO-UHFFFAOYSA-N
XLogP1.35
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 107589365
N-pyrimidin-5-ylpyrrolidine-1-carboxamide
CID 104859346
1-(piperidin-1-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 83017337
1-(3-methylbut-2-enylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 106191155
1-[(2-methylcyclopropyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709102
1-(5-chloropyrazine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 107371538
1-(4-methyl-1,2-oxazole-5-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 66334789
1-(2-methoxyethylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226701
1-(4-methylpentan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710168
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
3-(methoxymethyl)-1-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 146105847

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 107589209) is 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(Nc1cncnc1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FDXIRZZWDFYYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3/c12-11(13,14)10(8(19)20)1-2-18(5-10)9(21)17-7-3-15-6-16-4-7/h3-4,6H,1-2,5H2,(H,17,21)(H,19,20).
What are the key properties of 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107589209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).