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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Related Compounds

2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
CID 609233
Methyl 2-acetamido-3,3,3-trifluoro-2-[(4-methylpyridin-2-yl)amino]propanoate
CID 3598834
4-(3-Methylpyridin-2-ylcarbamoyl)butyric acid
CID 572788
ethyl 3,3,3-trifluoro-2-[(5-methylpyridin-2-yl)amino]-N-pentanoylalaninate
CID 659845
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
CID 2777788
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
N-(2-Pyridyl)glycine
CID 193885
3-Methyl-2-(5-trifluoromethyl-pyridin-2-ylamino)-butyric acid
CID 3106368
1-(5-(Trifluoromethyl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 5154402
3'-Trifluoromethyl-3,4,5,6-Tetrahydro-2H-[1,2']Bipyridinyl-4-Carboxylic Acid
CID 11288815
2-((Pyridin-2-yl)amino)acetic acid hydrochloride
CID 14238451
2-{1-[5-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl}acetic acid
CID 25248138

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).