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

C17H23NO6 — CID 119248755

IUPAC2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(OC)c(CCC(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C17H23NO6/c1-22-13-4-5-15(23-2)12(9-13)3-6-16(19)18-7-8-24-14(11-18)10-17(20)21/h4-5,9,14H,3,6-8,10-11H2,1-2H3,(H,20,21)
InChIKeyYRMSLQXRTIMVDG-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.34
Rot. Bonds7

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

2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248755) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248755
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(OC)c(CCC(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C17H23NO6/c1-22-13-4-5-15(23-2)12(9-13)3-6-16(19)18-7-8-24-14(11-18)10-17(20)21/h4-5,9,14H,3,6-8,10-11H2,1-2H3,(H,20,21)
InChIKeyYRMSLQXRTIMVDG-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

2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248355
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-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239770
(2S)-4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125151330
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433098
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 120687853
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (CID 119248755) is 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is COc1ccc(OC)c(CCC(=O)N2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is YRMSLQXRTIMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-22-13-4-5-15(23-2)12(9-13)3-6-16(19)18-7-8-24-14(11-18)10-17(20)21/h4-5,9,14H,3,6-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2,5-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-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).