2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid

C17H23NO5 — CID 125147522

IUPAC2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCCOc1ccccc1CCC(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-2-22-15-6-4-3-5-13(15)7-8-16(19)18-9-10-23-14(12-18)11-17(20)21/h3-6,14H,2,7-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAIOOKSCNSDFILR-AWEZNQCLSA-N
MW321.37 g/mol
LogP1.72
Rot. Bonds7

About 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 125147522) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID125147522
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESCCOc1ccccc1CCC(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C17H23NO5/c1-2-22-15-6-4-3-5-13(15)7-8-16(19)18-9-10-23-14(12-18)11-17(20)21/h3-6,14H,2,7-12H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAIOOKSCNSDFILR-AWEZNQCLSA-N
XLogP1.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81197579
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
3-(2-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403578

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid (CID 125147522) is 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is CCOc1ccccc1CCC(=O)N1CCO[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is AIOOKSCNSDFILR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO5/c1-2-22-15-6-4-3-5-13(15)7-8-16(19)18-9-10-23-14(12-18)11-17(20)21/h3-6,14H,2,7-12H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125147522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).