2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H18F3N3O4 — CID 79263444

IUPAC2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H18F3N3O4/c12-11(13,14)8-17(7-9(18)19)10(20)15-1-2-16-3-5-21-6-4-16/h1-8H2,(H,15,20)(H,18,19)
InChIKeyRCSYEYONUHXRBV-UHFFFAOYSA-N
MW313.28 g/mol
LogP-0.02
Rot. Bonds6

About 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263444) has the molecular formula C11H18F3N3O4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263444
Molecular FormulaC11H18F3N3O4
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H18F3N3O4/c12-11(13,14)8-17(7-9(18)19)10(20)15-1-2-16-3-5-21-6-4-16/h1-8H2,(H,15,20)(H,18,19)
InChIKeyRCSYEYONUHXRBV-UHFFFAOYSA-N
XLogP-0.02
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263444) is 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RCSYEYONUHXRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O4/c12-11(13,14)8-17(7-9(18)19)10(20)15-1-2-16-3-5-21-6-4-16/h1-8H2,(H,15,20)(H,18,19).
What are the key properties of 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 313.28 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-morpholin-4-ylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).