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

C18H25NO5 — CID 119247660

IUPAC2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
SMILESCC(C)COc1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C18H25NO5/c1-13(2)12-24-15-5-3-14(4-6-15)9-17(20)19-7-8-23-16(11-19)10-18(21)22/h3-6,13,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyZNDWLEIULOHNQW-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.97
Rot. Bonds7

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

2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid (PubChem CID 119247660) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
PubChem CID119247660
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
SMILESCC(C)COc1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C18H25NO5/c1-13(2)12-24-15-5-3-14(4-6-15)9-17(20)19-7-8-23-16(11-19)10-18(21)22/h3-6,13,16H,7-12H2,1-2H3,(H,21,22)
InChIKeyZNDWLEIULOHNQW-UHFFFAOYSA-N
XLogP1.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
2-[4-(2-methylpropoxy)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86896685
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125152120
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
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
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
CID 119645678
2-[4-(2-methylpropoxy)phenyl]-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997228

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid (CID 119247660) is 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid is CC(C)COc1ccc(CC(=O)N2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
The InChIKey is ZNDWLEIULOHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13(2)12-24-15-5-3-14(4-6-15)9-17(20)19-7-8-23-16(11-19)10-18(21)22/h3-6,13,16H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).