(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid

C13H13ClFNO5 — CID 124513243

IUPAC(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNO5/c14-9-5-8(15)1-2-11(9)21-7-12(17)16-3-4-20-6-10(16)13(18)19/h1-2,5,10H,3-4,6-7H2,(H,18,19)/t10-/m1/s1
InChIKeyWGLPRZRNTCXWMN-SNVBAGLBSA-N
MW317.70 g/mol
LogP1.17
Rot. Bonds4

About (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid

(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid (PubChem CID 124513243) has the molecular formula C13H13ClFNO5 and a molecular weight of 317.70 g/mol. Its IUPAC name is (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
PubChem CID124513243
Molecular FormulaC13H13ClFNO5
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNO5/c14-9-5-8(15)1-2-11(9)21-7-12(17)16-3-4-20-6-10(16)13(18)19/h1-2,5,10H,3-4,6-7H2,(H,18,19)/t10-/m1/s1
InChIKeyWGLPRZRNTCXWMN-SNVBAGLBSA-N
XLogP1.17
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513402
2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
CID 75765846
4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 119215938
methyl 1-[2-(2-chloro-4-fluorophenoxy)acetyl]pyrrolidine-2-carboxylate
CID 43410117
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-2-(2-chloro-4-fluorophenoxy)ethanone;hydrochloride
CID 120810504
4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
CID 119216664
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid (CID 124513243) is (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid?
The InChIKey is WGLPRZRNTCXWMN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13ClFNO5/c14-9-5-8(15)1-2-11(9)21-7-12(17)16-3-4-20-6-10(16)13(18)19/h1-2,5,10H,3-4,6-7H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid has a molecular weight of 317.70 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).