2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

C12H13F3N2O2 — CID 64668079

IUPAC2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(Nc1ccc(C(F)(F)F)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F3N2O2/c1-11(10(18)19,7-2-3-7)17-9-5-4-8(6-16-9)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRMOIYCGJJTSQY-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.77
Rot. Bonds4

About 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 64668079) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
PubChem CID64668079
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(Nc1ccc(C(F)(F)F)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C12H13F3N2O2/c1-11(10(18)19,7-2-3-7)17-9-5-4-8(6-16-9)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRMOIYCGJJTSQY-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (CID 64668079) is 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is CC(Nc1ccc(C(F)(F)F)cn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is KRMOIYCGJJTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-11(10(18)19,7-2-3-7)17-9-5-4-8(6-16-9)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 274.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 64668079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).