2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid

C17H23NO6 — CID 119248324

IUPAC2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(CCC(=O)N2CCOC(CC(=O)O)C2)cc(OC)c1
InChIInChI=1S/C17H23NO6/c1-22-13-7-12(8-14(9-13)23-2)3-4-16(19)18-5-6-24-15(11-18)10-17(20)21/h7-9,15H,3-6,10-11H2,1-2H3,(H,20,21)
InChIKeyYRPJAFVWUSKUHK-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.34
Rot. Bonds7

About 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248324) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248324
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(CCC(=O)N2CCOC(CC(=O)O)C2)cc(OC)c1
InChIInChI=1S/C17H23NO6/c1-22-13-7-12(8-14(9-13)23-2)3-4-16(19)18-5-6-24-15(11-18)10-17(20)21/h7-9,15H,3-6,10-11H2,1-2H3,(H,20,21)
InChIKeyYRPJAFVWUSKUHK-UHFFFAOYSA-N
XLogP1.34
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248355
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (CID 119248324) is 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is COc1cc(CCC(=O)N2CCOC(CC(=O)O)C2)cc(OC)c1.
What is the InChIKey of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is YRPJAFVWUSKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-22-13-7-12(8-14(9-13)23-2)3-4-16(19)18-5-6-24-15(11-18)10-17(20)21/h7-9,15H,3-6,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).