1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid

C11H11F3N2O3 — CID 114159501

IUPAC1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)10(3-4-10)15-8(17)6-16-5-1-2-7(16)9(18)19/h1-2,5H,3-4,6H2,(H,15,17)(H,18,19)
InChIKeyBYNIIOOJMWYCQG-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid

1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid (PubChem CID 114159501) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid
PubChem CID114159501
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)10(3-4-10)15-8(17)6-16-5-1-2-7(16)9(18)19/h1-2,5H,3-4,6H2,(H,15,17)(H,18,19)
InChIKeyBYNIIOOJMWYCQG-UHFFFAOYSA-N
XLogP1.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid (CID 114159501) is 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid?
The InChIKey is BYNIIOOJMWYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)10(3-4-10)15-8(17)6-16-5-1-2-7(16)9(18)19/h1-2,5H,3-4,6H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid?
1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid has a molecular weight of 276.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114159501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).