3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid

C16H23NO3 — CID 84752467

IUPAC3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCCc1ccc(CC(C)(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-4-6-14(7-5-13)12-16(2,15(18)19)17-8-10-20-11-9-17/h4-7H,3,8-12H2,1-2H3,(H,18,19)
InChIKeyUTRKTWPJUQKRDH-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.97
Rot. Bonds5

About 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid

3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid (PubChem CID 84752467) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
PubChem CID84752467
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCCc1ccc(CC(C)(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-3-13-4-6-14(7-5-13)12-16(2,15(18)19)17-8-10-20-11-9-17/h4-7H,3,8-12H2,1-2H3,(H,18,19)
InChIKeyUTRKTWPJUQKRDH-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid (CID 84752467) is 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid is CCc1ccc(CC(C)(C(=O)O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The InChIKey is UTRKTWPJUQKRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-13-4-6-14(7-5-13)12-16(2,15(18)19)17-8-10-20-11-9-17/h4-7H,3,8-12H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid has a molecular weight of 277.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 84752467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).