2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H13F3N2O4 — CID 79257884

IUPAC2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CN1CCCC1=O
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)6-15(5-9(18)19)8(17)4-14-3-1-2-7(14)16/h1-6H2,(H,18,19)
InChIKeyPEXIVLNPFDSMFH-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.08
Rot. Bonds5

About 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257884) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257884
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CN1CCCC1=O
InChIInChI=1S/C10H13F3N2O4/c11-10(12,13)6-15(5-9(18)19)8(17)4-14-3-1-2-7(14)16/h1-6H2,(H,18,19)
InChIKeyPEXIVLNPFDSMFH-UHFFFAOYSA-N
XLogP0.08
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257884) is 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CN1CCCC1=O.
What is the InChIKey of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PEXIVLNPFDSMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c11-10(12,13)6-15(5-9(18)19)8(17)4-14-3-1-2-7(14)16/h1-6H2,(H,18,19).
What are the key properties of 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.22 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).