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

C11H18F2N2O5 — CID 107481685

IUPAC2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N(CCO)CC(F)F)CCO1
InChIInChI=1S/C11H18F2N2O5/c12-9(13)7-14(1-3-16)11(19)15-2-4-20-8(6-15)5-10(17)18/h8-9,16H,1-7H2,(H,17,18)
InChIKeyYFJLESHEBQAOAP-UHFFFAOYSA-N
MW296.27 g/mol
LogP-0.16
Rot. Bonds6

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

2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 107481685) has the molecular formula C11H18F2N2O5 and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid
PubChem CID107481685
Molecular FormulaC11H18F2N2O5
Molecular Weight296.27 g/mol
Exact Mass296.12
IUPAC Name2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)N(CCO)CC(F)F)CCO1
InChIInChI=1S/C11H18F2N2O5/c12-9(13)7-14(1-3-16)11(19)15-2-4-20-8(6-15)5-10(17)18/h8-9,16H,1-7H2,(H,17,18)
InChIKeyYFJLESHEBQAOAP-UHFFFAOYSA-N
XLogP-0.16
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid (CID 107481685) is 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)N(CCO)CC(F)F)CCO1.
What is the InChIKey of 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is YFJLESHEBQAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O5/c12-9(13)7-14(1-3-16)11(19)15-2-4-20-8(6-15)5-10(17)18/h8-9,16H,1-7H2,(H,17,18).
What are the key properties of 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 296.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 107481685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).