(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid

C13H13F2NO5 — CID 129366670

IUPAC(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1
InChIInChI=1S/C13H13F2NO5/c14-8-1-2-10(9(15)5-8)21-7-12(17)16-3-4-20-11(6-16)13(18)19/h1-2,5,11H,3-4,6-7H2,(H,18,19)/t11-/m1/s1
InChIKeyJJPGCCYVMPXLKN-LLVKDONJSA-N
MW301.24 g/mol
LogP0.66
Rot. Bonds4

About (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid (PubChem CID 129366670) has the molecular formula C13H13F2NO5 and a molecular weight of 301.24 g/mol. Its IUPAC name is (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
PubChem CID129366670
Molecular FormulaC13H13F2NO5
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1
InChIInChI=1S/C13H13F2NO5/c14-8-1-2-10(9(15)5-8)21-7-12(17)16-3-4-20-11(6-16)13(18)19/h1-2,5,11H,3-4,6-7H2,(H,18,19)/t11-/m1/s1
InChIKeyJJPGCCYVMPXLKN-LLVKDONJSA-N
XLogP0.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 119484445
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108
(2R)-4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]morpholine-2-carboxylic acid
CID 129468451
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(2,4-difluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489358
2-(2,4-difluorophenoxy)-1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]ethanone
CID 124614028
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207
(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129367315

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid (CID 129366670) is (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)COc2ccc(F)cc2F)CCO1.
What is the InChIKey of (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid?
The InChIKey is JJPGCCYVMPXLKN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13F2NO5/c14-8-1-2-10(9(15)5-8)21-7-12(17)16-3-4-20-11(6-16)13(18)19/h1-2,5,11H,3-4,6-7H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid has a molecular weight of 301.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129366670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).