2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid

C18H23NO6 — CID 120687850

IUPAC2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C18H23NO6/c1-24-14-7-5-13(6-8-14)16(20)3-2-4-17(21)19-9-10-25-15(12-19)11-18(22)23/h5-8,15H,2-4,9-12H2,1H3,(H,22,23)
InChIKeyKLACZIWHDVCRJO-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.75
Rot. Bonds8

About 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid

2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid (PubChem CID 120687850) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
PubChem CID120687850
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCOC(CC(=O)O)C2)cc1
InChIInChI=1S/C18H23NO6/c1-24-14-7-5-13(6-8-14)16(20)3-2-4-17(21)19-9-10-25-15(12-19)11-18(22)23/h5-8,15H,2-4,9-12H2,1H3,(H,22,23)
InChIKeyKLACZIWHDVCRJO-UHFFFAOYSA-N
XLogP1.75
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-(2-phenylmorpholin-4-yl)pentane-1,5-dione
CID 110308920
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
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
(3S)-1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidine-3-carboxylic acid
CID 120684511
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119247581
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
CID 122569997
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
CID 120527590
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid (CID 120687850) is 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid is COc1ccc(C(=O)CCCC(=O)N2CCOC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid?
The InChIKey is KLACZIWHDVCRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-24-14-7-5-13(6-8-14)16(20)3-2-4-17(21)19-9-10-25-15(12-19)11-18(22)23/h5-8,15H,2-4,9-12H2,1H3,(H,22,23).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid?
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid has a molecular weight of 349.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120687850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).