2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid

C10H10F6N2O4 — CID 59492151

IUPAC2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
SMILESO=C(O)CN(C(=O)C(F)(F)F)[C@@H]1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H10F6N2O4/c11-9(12,13)7(21)17-2-1-5(3-17)18(4-6(19)20)8(22)10(14,15)16/h5H,1-4H2,(H,19,20)/t5-/m1/s1
InChIKeyZNPCGHZDYGSICO-RXMQYKEDSA-N
MW336.19 g/mol
LogP0.63
Rot. Bonds3

About 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid

2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid (PubChem CID 59492151) has the molecular formula C10H10F6N2O4 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
PubChem CID59492151
Molecular FormulaC10H10F6N2O4
Molecular Weight336.19 g/mol
Exact Mass336.05
IUPAC Name2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
SMILESO=C(O)CN(C(=O)C(F)(F)F)[C@@H]1CCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H10F6N2O4/c11-9(12,13)7(21)17-2-1-5(3-17)18(4-6(19)20)8(22)10(14,15)16/h5H,1-4H2,(H,19,20)/t5-/m1/s1
InChIKeyZNPCGHZDYGSICO-RXMQYKEDSA-N
XLogP0.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid with MolForge

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Related Compounds

2-[2,2-difluoropropanoyl-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492161
2-[(2,2,2-Trifluoroacetyl)-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 72306391
2-[(1-Ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257781
2-[(1-Methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257796
2-[[2-(2-Oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257884
2-[(1-Cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258451
2-[(2,5-Dioxo-1-propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258522
2-[(2,5-Dioxo-1-propylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258762
2-[(1-Oxo-1-pyrrolidin-1-ylpropan-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258868
2-[(1-Methyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258878
2-[(1-Butan-2-yl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263209
2-[2-(2,5-Dimethylpyrrolidin-1-yl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265083

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid (CID 59492151) is 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid is O=C(O)CN(C(=O)C(F)(F)F)[C@@H]1CCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is ZNPCGHZDYGSICO-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10F6N2O4/c11-9(12,13)7(21)17-2-1-5(3-17)18(4-6(19)20)8(22)10(14,15)16/h5H,1-4H2,(H,19,20)/t5-/m1/s1.
What are the key properties of 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid?
2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 336.19 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 59492151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).