2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H13F3N4O3 — CID 79265440

IUPAC2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC(=O)N(CC(=O)O)CC(F)(F)F)c1ncccn1
InChIInChI=1S/C11H13F3N4O3/c1-17(10-15-3-2-4-16-10)5-8(19)18(6-9(20)21)7-11(12,13)14/h2-4H,5-7H2,1H3,(H,20,21)
InChIKeyDFEVALPKKBGPMU-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.39
Rot. Bonds6

About 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265440) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265440
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC Name2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(CC(=O)N(CC(=O)O)CC(F)(F)F)c1ncccn1
InChIInChI=1S/C11H13F3N4O3/c1-17(10-15-3-2-4-16-10)5-8(19)18(6-9(20)21)7-11(12,13)14/h2-4H,5-7H2,1H3,(H,20,21)
InChIKeyDFEVALPKKBGPMU-UHFFFAOYSA-N
XLogP0.39
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265440) is 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN(CC(=O)N(CC(=O)O)CC(F)(F)F)c1ncccn1.
What is the InChIKey of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DFEVALPKKBGPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c1-17(10-15-3-2-4-16-10)5-8(19)18(6-9(20)21)7-11(12,13)14/h2-4H,5-7H2,1H3,(H,20,21).
What are the key properties of 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 306.24 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).