(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid

C13H13F2NO4 — CID 124517322

IUPAC(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cc2c(F)cccc2F)CCO1
InChIInChI=1S/C13H13F2NO4/c14-9-2-1-3-10(15)8(9)6-12(17)16-4-5-20-11(7-16)13(18)19/h1-3,11H,4-7H2,(H,18,19)/t11-/m1/s1
InChIKeyIXMLUIQDRHYQPW-LLVKDONJSA-N
MW285.25 g/mol
LogP0.82
Rot. Bonds3

About (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid

(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid (PubChem CID 124517322) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
PubChem CID124517322
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cc2c(F)cccc2F)CCO1
InChIInChI=1S/C13H13F2NO4/c14-9-2-1-3-10(15)8(9)6-12(17)16-4-5-20-11(7-16)13(18)19/h1-3,11H,4-7H2,(H,18,19)/t11-/m1/s1
InChIKeyIXMLUIQDRHYQPW-LLVKDONJSA-N
XLogP0.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847
4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 119238965
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 119934548
4-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 119238963
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid (CID 124517322) is (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)Cc2c(F)cccc2F)CCO1.
What is the InChIKey of (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is IXMLUIQDRHYQPW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-9-2-1-3-10(15)8(9)6-12(17)16-4-5-20-11(7-16)13(18)19/h1-3,11H,4-7H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124517322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).