2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C8H8F3N3O4 — CID 79258623

IUPAC2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H8F3N3O4/c9-8(10,11)3-14(2-5(15)16)6(17)4-1-12-7(18)13-4/h1H,2-3H2,(H,15,16)(H2,12,13,18)
InChIKeyGMABSTUJSNWVSQ-UHFFFAOYSA-N
MW267.16 g/mol
LogP-0.21
Rot. Bonds4

About 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258623) has the molecular formula C8H8F3N3O4 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258623
Molecular FormulaC8H8F3N3O4
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Name2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H8F3N3O4/c9-8(10,11)3-14(2-5(15)16)6(17)4-1-12-7(18)13-4/h1H,2-3H2,(H,15,16)(H2,12,13,18)
InChIKeyGMABSTUJSNWVSQ-UHFFFAOYSA-N
XLogP-0.21
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258623) is 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GMABSTUJSNWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4/c9-8(10,11)3-14(2-5(15)16)6(17)4-1-12-7(18)13-4/h1H,2-3H2,(H,15,16)(H2,12,13,18).
What are the key properties of 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 267.16 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).