2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid

C17H23NO6 — CID 120687891

IUPAC2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCOC(CC(=O)O)C2)c(OC(C)C)c1
InChIInChI=1S/C17H23NO6/c1-11(2)24-15-8-12(22-3)4-5-14(15)17(21)18-6-7-23-13(10-18)9-16(19)20/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyZIKJDBFYERWGHP-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.80
Rot. Bonds6

About 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid

2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid (PubChem CID 120687891) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
PubChem CID120687891
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1ccc(C(=O)N2CCOC(CC(=O)O)C2)c(OC(C)C)c1
InChIInChI=1S/C17H23NO6/c1-11(2)24-15-8-12(22-3)4-5-14(15)17(21)18-6-7-23-13(10-18)9-16(19)20/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyZIKJDBFYERWGHP-UHFFFAOYSA-N
XLogP1.80
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132212
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid (CID 120687891) is 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid is COc1ccc(C(=O)N2CCOC(CC(=O)O)C2)c(OC(C)C)c1.
What is the InChIKey of 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is ZIKJDBFYERWGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-11(2)24-15-8-12(22-3)4-5-14(15)17(21)18-6-7-23-13(10-18)9-16(19)20/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid?
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 120687891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).