4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid

C14H15F2NO4 — CID 119215938

IUPAC4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NO4/c15-10-2-3-11(16)9(7-10)1-4-13(18)17-5-6-21-8-12(17)14(19)20/h2-3,7,12H,1,4-6,8H2,(H,19,20)
InChIKeyNXWFOEQIRQAROK-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.21
Rot. Bonds4

About 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid

4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 119215938) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
PubChem CID119215938
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NO4/c15-10-2-3-11(16)9(7-10)1-4-13(18)17-5-6-21-8-12(17)14(19)20/h2-3,7,12H,1,4-6,8H2,(H,19,20)
InChIKeyNXWFOEQIRQAROK-UHFFFAOYSA-N
XLogP1.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
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
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243
4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid
CID 119216238
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
(2R)-1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 120537338
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,5-difluorophenyl)propan-1-one
CID 119633596
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216768

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid (CID 119215938) is 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)CCc1cc(F)ccc1F.
What is the InChIKey of 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is NXWFOEQIRQAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-10-2-3-11(16)9(7-10)1-4-13(18)17-5-6-21-8-12(17)14(19)20/h2-3,7,12H,1,4-6,8H2,(H,19,20).
What are the key properties of 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid?
4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-difluorophenyl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).