3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid

C13H13F3N2O3 — CID 114908376

IUPAC3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-3-4-9(17-6-8)12(21)18-10(5-11(19)20)7-1-2-7/h3-4,6-7,10H,1-2,5H2,(H,18,21)(H,19,20)
InChIKeyLTYNEVFVQUAYEM-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.08
Rot. Bonds5

About 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid

3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 114908376) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID114908376
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-3-4-9(17-6-8)12(21)18-10(5-11(19)20)7-1-2-7/h3-4,6-7,10H,1-2,5H2,(H,18,21)(H,19,20)
InChIKeyLTYNEVFVQUAYEM-UHFFFAOYSA-N
XLogP2.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid (CID 114908376) is 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid is O=C(O)CC(NC(=O)c1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is LTYNEVFVQUAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)8-3-4-9(17-6-8)12(21)18-10(5-11(19)20)7-1-2-7/h3-4,6-7,10H,1-2,5H2,(H,18,21)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid?
3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 302.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 114908376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).