(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid

C7H7F3N2O4 — CID 175128497

IUPAC(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid
SMILESCN1C[C@@H](C(=O)O)N(C(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H7F3N2O4/c1-11-2-3(4(13)14)12(6(11)16)5(15)7(8,9)10/h3H,2H2,1H3,(H,13,14)/t3-/m0/s1
InChIKeyUJEYHHJGXCJINF-VKHMYHEASA-N
MW240.14 g/mol
LogP-0.10
Rot. Bonds1

About (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid

(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid (PubChem CID 175128497) has the molecular formula C7H7F3N2O4 and a molecular weight of 240.14 g/mol. Its IUPAC name is (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid
PubChem CID175128497
Molecular FormulaC7H7F3N2O4
Molecular Weight240.14 g/mol
Exact Mass240.04
IUPAC Name(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid
SMILESCN1C[C@@H](C(=O)O)N(C(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H7F3N2O4/c1-11-2-3(4(13)14)12(6(11)16)5(15)7(8,9)10/h3H,2H2,1H3,(H,13,14)/t3-/m0/s1
InChIKeyUJEYHHJGXCJINF-VKHMYHEASA-N
XLogP-0.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid?
The IUPAC name of (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid (CID 175128497) is (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid is CN1C[C@@H](C(=O)O)N(C(=O)C(F)(F)F)C1=O.
What is the InChIKey of (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid?
The InChIKey is UJEYHHJGXCJINF-VKHMYHEASA-N. The full InChI is InChI=1S/C7H7F3N2O4/c1-11-2-3(4(13)14)12(6(11)16)5(15)7(8,9)10/h3H,2H2,1H3,(H,13,14)/t3-/m0/s1.
What are the key properties of (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid?
(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid has a molecular weight of 240.14 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid is sourced from PubChem (CID 175128497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).