2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid

C16H20FNO5 — CID 119248355

IUPAC2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(CCC(=O)N2CCOC(CC(=O)O)C2)cc1F
InChIInChI=1S/C16H20FNO5/c1-22-14-4-2-11(8-13(14)17)3-5-15(19)18-6-7-23-12(10-18)9-16(20)21/h2,4,8,12H,3,5-7,9-10H2,1H3,(H,20,21)
InChIKeyOJTALPHFTUYILA-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248355) has the molecular formula C16H20FNO5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248355
Molecular FormulaC16H20FNO5
Molecular Weight325.34 g/mol
Exact Mass325.13
IUPAC Name2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(CCC(=O)N2CCOC(CC(=O)O)C2)cc1F
InChIInChI=1S/C16H20FNO5/c1-22-14-4-2-11(8-13(14)17)3-5-15(19)18-6-7-23-12(10-18)9-16(20)21/h2,4,8,12H,3,5-7,9-10H2,1H3,(H,20,21)
InChIKeyOJTALPHFTUYILA-UHFFFAOYSA-N
XLogP1.47
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124702410
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
3-(3-bromo-4-methoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81196735
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119635594
4-[3-(3-chloro-4-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239847
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (CID 119248355) is 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is COc1ccc(CCC(=O)N2CCOC(CC(=O)O)C2)cc1F.
What is the InChIKey of 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is OJTALPHFTUYILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO5/c1-22-14-4-2-11(8-13(14)17)3-5-15(19)18-6-7-23-12(10-18)9-16(20)21/h2,4,8,12H,3,5-7,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 325.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).