1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H11F3N2O3 — CID 63709599

IUPAC1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccc[nH]1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)10(9(18)19)3-5-16(6-10)8(17)7-2-1-4-15-7/h1-2,4,15H,3,5-6H2,(H,18,19)
InChIKeyUQHVDVMRNNRVEM-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.49
Rot. Bonds2

About 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709599) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709599
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccc[nH]1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)10(9(18)19)3-5-16(6-10)8(17)7-2-1-4-15-7/h1-2,4,15H,3,5-6H2,(H,18,19)
InChIKeyUQHVDVMRNNRVEM-UHFFFAOYSA-N
XLogP1.49
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[Methyl-(1H-pyrrole-2-carbonyl)-amino]-acetic acid
CID 10583571
2-amino-3-(1H-pyrrole-2-carbonylamino)propanoic acid
CID 44233652
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 42628305
4-oxo-4-[4-(1H-pyrrole-2-carbonylamino)piperidin-1-yl]butanoic acid
CID 137640372
N-[5-(1H-pyrrole-2-carbonylamino)pentyl]-1H-pyrrole-2-carboxamide
CID 145958466
Surugapyrrole B
CID 70678742
5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylic acid
CID 16227482
3-(1-Methyl-1h-pyrrole-2-carboxamido)propanoic acid
CID 10535867
3-(N-Methyl-1H-pyrrole-2-carboxamido)propanoic acid
CID 10559783
3-[(1-Ethylpyrrole-2-carbonyl)amino]propanoic acid
CID 10679951
Methyl 3-(1H-pyrrol-2-ylcarboxamido)propionate
CID 11830343
(1H-Pyrrol-1-yl)(1H-pyrrol-2-yl)methanone
CID 12398116

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709599) is 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1ccc[nH]1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UQHVDVMRNNRVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)10(9(18)19)3-5-16(6-10)8(17)7-2-1-4-15-7/h1-2,4,15H,3,5-6H2,(H,18,19).
What are the key properties of 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrole-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).