2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H13F3N2O4 — CID 79257781

IUPAC2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN1C(=O)CC(N(CC(=O)O)CC(F)(F)F)C1=O
InChIInChI=1S/C10H13F3N2O4/c1-2-15-7(16)3-6(9(15)19)14(4-8(17)18)5-10(11,12)13/h6H,2-5H2,1H3,(H,17,18)
InChIKeyNOZAHPXNTVAGSH-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.08
Rot. Bonds5

About 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257781) has the molecular formula C10H13F3N2O4 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257781
Molecular FormulaC10H13F3N2O4
Molecular Weight282.22 g/mol
Exact Mass282.08
IUPAC Name2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCN1C(=O)CC(N(CC(=O)O)CC(F)(F)F)C1=O
InChIInChI=1S/C10H13F3N2O4/c1-2-15-7(16)3-6(9(15)19)14(4-8(17)18)5-10(11,12)13/h6H,2-5H2,1H3,(H,17,18)
InChIKeyNOZAHPXNTVAGSH-UHFFFAOYSA-N
XLogP0.08
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-methylpyrrolidine-2,5-dione; trifluoroacetic acid
CID 54595575
2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492151
2-[2,2-difluoropropanoyl-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492161
2-(2-Oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 69056112
2-[(2,2,2-Trifluoroacetyl)-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 72306391
2-[Methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 43356392
2-[Cyclopropyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 60825069
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 60831352
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 61008912
2-[Ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 61022115
2-[Methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 61818608
2-[Methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 62626032

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257781) is 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCN1C(=O)CC(N(CC(=O)O)CC(F)(F)F)C1=O.
What is the InChIKey of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NOZAHPXNTVAGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O4/c1-2-15-7(16)3-6(9(15)19)14(4-8(17)18)5-10(11,12)13/h6H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(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 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).