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

C11H13F3N2O4 — CID 79258451

IUPAC2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)5-15(4-9(18)19)7-3-8(17)16(10(7)20)6-1-2-6/h6-7H,1-5H2,(H,18,19)
InChIKeyTWXWQKULJDLDQS-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.23
Rot. Bonds5

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

2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258451) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258451
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)5-15(4-9(18)19)7-3-8(17)16(10(7)20)6-1-2-6/h6-7H,1-5H2,(H,18,19)
InChIKeyTWXWQKULJDLDQS-UHFFFAOYSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.23
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

CID 59492151
CID 59492151
CID 59492161
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CID 72306391
CID 72306391
CID 60825069
CID 60825069
CID 79257684
CID 79257684
CID 79257781
CID 79257781
CID 79257796
CID 79257796
CID 79257884
CID 79257884
CID 79258522
CID 79258522
CID 79258762
CID 79258762
CID 79258878
CID 79258878
CID 79263209
CID 79263209

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258451) is 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is TWXWQKULJDLDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)5-15(4-9(18)19)7-3-8(17)16(10(7)20)6-1-2-6/h6-7H,1-5H2,(H,18,19).
What are the key properties of 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 294.23 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).