2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

C11H11F3N2O2 — CID 55107908

IUPAC2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)C(Nc1ncccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-5-15-9(7)16-8(10(17)18)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,15,16)(H,17,18)
InChIKeyDKCZUMWXCQDAOS-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.38
Rot. Bonds4

About 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (PubChem CID 55107908) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
PubChem CID55107908
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)C(Nc1ncccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-5-15-9(7)16-8(10(17)18)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,15,16)(H,17,18)
InChIKeyDKCZUMWXCQDAOS-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (CID 55107908) is 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is O=C(O)C(Nc1ncccc1C(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The InChIKey is DKCZUMWXCQDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)7-2-1-5-15-9(7)16-8(10(17)18)6-3-4-6/h1-2,5-6,8H,3-4H2,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid has a molecular weight of 260.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 55107908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).