2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid

C10H15F3N2O4 — CID 66434885

IUPAC2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCC(F)(F)F)CCO1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)1-2-14-9(18)15-3-4-19-7(6-15)5-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyVVWDRHRRLLUOSB-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66434885) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66434885
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCC(F)(F)F)CCO1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)1-2-14-9(18)15-3-4-19-7(6-15)5-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyVVWDRHRRLLUOSB-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid (CID 66434885) is 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NCCC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is VVWDRHRRLLUOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)1-2-14-9(18)15-3-4-19-7(6-15)5-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).