2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid

C17H25NO5 — CID 77098353

IUPAC2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(CN2CCOC(C)(C)C2)c1OC(C)C(=O)O
InChIInChI=1S/C17H25NO5/c1-12(16(19)20)23-15-13(6-5-7-14(15)21-4)10-18-8-9-22-17(2,3)11-18/h5-7,12H,8-11H2,1-4H3,(H,19,20)
InChIKeyBIOJYKJISJWXKQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.16
Rot. Bonds6

About 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid

2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid (PubChem CID 77098353) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid
PubChem CID77098353
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid
SMILESCOc1cccc(CN2CCOC(C)(C)C2)c1OC(C)C(=O)O
InChIInChI=1S/C17H25NO5/c1-12(16(19)20)23-15-13(6-5-7-14(15)21-4)10-18-8-9-22-17(2,3)11-18/h5-7,12H,8-11H2,1-4H3,(H,19,20)
InChIKeyBIOJYKJISJWXKQ-UHFFFAOYSA-N
XLogP2.16
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
CID 77097951
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82977089
N-[[(2R)-4-[(2,3-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 124614604
2-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 114048476
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 86981388
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid
CID 99931808

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid?
The IUPAC name of 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid (CID 77098353) is 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid?
The canonical SMILES for 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid is COc1cccc(CN2CCOC(C)(C)C2)c1OC(C)C(=O)O.
What is the InChIKey of 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid?
The InChIKey is BIOJYKJISJWXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12(16(19)20)23-15-13(6-5-7-14(15)21-4)10-18-8-9-22-17(2,3)11-18/h5-7,12H,8-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid?
2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]-6-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 77098353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).