2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid

C16H21NO4 — CID 119248876

IUPAC2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
SMILESCCc1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-2-12-3-5-13(6-4-12)9-15(18)17-7-8-21-14(11-17)10-16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20)
InChIKeyAFINRADCAPBFHV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.49
Rot. Bonds5

About 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 119248876) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
PubChem CID119248876
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
SMILESCCc1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H21NO4/c1-2-12-3-5-13(6-4-12)9-15(18)17-7-8-21-14(11-17)10-16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20)
InChIKeyAFINRADCAPBFHV-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 119247660
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
CID 119247939
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid
CID 124515383
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid (CID 119248876) is 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid is CCc1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is AFINRADCAPBFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-12-3-5-13(6-4-12)9-15(18)17-7-8-21-14(11-17)10-16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).