2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid

C10H15F3N2O4 — CID 66435431

IUPAC2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-14(6-10(11,12)13)9(18)15-2-3-19-7(5-15)4-8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeyNILLVECAEIALJL-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.78
Rot. Bonds3

About 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid

2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66435431) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66435431
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-14(6-10(11,12)13)9(18)15-2-3-19-7(5-15)4-8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeyNILLVECAEIALJL-UHFFFAOYSA-N
XLogP0.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 66435431) is 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is CN(CC(F)(F)F)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is NILLVECAEIALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-14(6-10(11,12)13)9(18)15-2-3-19-7(5-15)4-8(16)17/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).