2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O5 — CID 79264843

IUPAC2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H12F3N3O5/c11-10(12,13)4-16(3-7(18)19)9(21)14-5-1-2-6(17)15-8(5)20/h5H,1-4H2,(H,14,21)(H,18,19)(H,15,17,20)
InChIKeyIRZZOUJVSSQEDU-UHFFFAOYSA-N
MW311.22 g/mol
LogP-0.55
Rot. Bonds4

About 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264843) has the molecular formula C10H12F3N3O5 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264843
Molecular FormulaC10H12F3N3O5
Molecular Weight311.22 g/mol
Exact Mass311.07
IUPAC Name2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H12F3N3O5/c11-10(12,13)4-16(3-7(18)19)9(21)14-5-1-2-6(17)15-8(5)20/h5H,1-4H2,(H,14,21)(H,18,19)(H,15,17,20)
InChIKeyIRZZOUJVSSQEDU-UHFFFAOYSA-N
XLogP-0.55
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264843) is 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IRZZOUJVSSQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O5/c11-10(12,13)4-16(3-7(18)19)9(21)14-5-1-2-6(17)15-8(5)20/h5H,1-4H2,(H,14,21)(H,18,19)(H,15,17,20).
What are the key properties of 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.22 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dioxopiperidin-3-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).