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

C11H17F3N2O5 — CID 107481923

IUPAC2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N(CCO)CC(F)(F)F)CCO1
InChIInChI=1S/C11H17F3N2O5/c12-11(13,14)7-16(1-3-17)10(20)15-2-4-21-8(6-15)5-9(18)19/h8,17H,1-7H2,(H,18,19)
InChIKeyMPIJBGVVWLMWLV-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.14
Rot. Bonds5

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

2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 107481923) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID107481923
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N(CCO)CC(F)(F)F)CCO1
InChIInChI=1S/C11H17F3N2O5/c12-11(13,14)7-16(1-3-17)10(20)15-2-4-21-8(6-15)5-9(18)19/h8,17H,1-7H2,(H,18,19)
InChIKeyMPIJBGVVWLMWLV-UHFFFAOYSA-N
XLogP0.14
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]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-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 107481923) is 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)N(CCO)CC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is MPIJBGVVWLMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c12-11(13,14)7-16(1-3-17)10(20)15-2-4-21-8(6-15)5-9(18)19/h8,17H,1-7H2,(H,18,19).
What are the key properties of 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 314.26 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 107481923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).