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

C17H23NO4 — CID 119248342

IUPAC2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CCC(=O)N2CCOC(CC(=O)O)C2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-12-3-4-14(13(2)9-12)5-6-16(19)18-7-8-22-15(11-18)10-17(20)21/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyGRHXSVNXSNPNPS-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.94
Rot. Bonds5

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

2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 119248342) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID119248342
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(CCC(=O)N2CCOC(CC(=O)O)C2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-12-3-4-14(13(2)9-12)5-6-16(19)18-7-8-22-15(11-18)10-17(20)21/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,20,21)
InChIKeyGRHXSVNXSNPNPS-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]morpholin-2-yl]acetic acid
CID 97324656
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 120687853
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124702410
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124611243
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 124628215

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid (CID 119248342) is 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid is Cc1ccc(CCC(=O)N2CCOC(CC(=O)O)C2)c(C)c1.
What is the InChIKey of 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is GRHXSVNXSNPNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12-3-4-14(13(2)9-12)5-6-16(19)18-7-8-22-15(11-18)10-17(20)21/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).