2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid

C9H11F3N2O4 — CID 43170580

IUPAC2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)4-14-3-5(1-6(14)15)8(18)13-2-7(16)17/h5H,1-4H2,(H,13,18)(H,16,17)
InChIKeyGOXMVZLBIOQLLJ-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.40
Rot. Bonds4

About 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid

2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 43170580) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID43170580
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Name2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)4-14-3-5(1-6(14)15)8(18)13-2-7(16)17/h5H,1-4H2,(H,13,18)(H,16,17)
InChIKeyGOXMVZLBIOQLLJ-UHFFFAOYSA-N
XLogP-0.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid (CID 43170580) is 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is GOXMVZLBIOQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c10-9(11,12)4-14-3-5(1-6(14)15)8(18)13-2-7(16)17/h5H,1-4H2,(H,13,18)(H,16,17).
What are the key properties of 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid?
2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 268.19 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 43170580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).