2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3N3O3 — CID 79258075

IUPAC2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC(=O)c1ccnc(N(CC(=O)O)CC(F)(F)F)c1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)5-16(4-8(17)18)7-3-6(9(14)19)1-2-15-7/h1-3H,4-5H2,(H2,14,19)(H,17,18)
InChIKeyYNAUAOCJPAUNPL-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.63
Rot. Bonds5

About 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258075) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258075
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESNC(=O)c1ccnc(N(CC(=O)O)CC(F)(F)F)c1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)5-16(4-8(17)18)7-3-6(9(14)19)1-2-15-7/h1-3H,4-5H2,(H2,14,19)(H,17,18)
InChIKeyYNAUAOCJPAUNPL-UHFFFAOYSA-N
XLogP0.63
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258075) is 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid is NC(=O)c1ccnc(N(CC(=O)O)CC(F)(F)F)c1.
What is the InChIKey of 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YNAUAOCJPAUNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)5-16(4-8(17)18)7-3-6(9(14)19)1-2-15-7/h1-3H,4-5H2,(H2,14,19)(H,17,18).
What are the key properties of 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 277.20 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).