2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid

C15H21NO4 — CID 84746481

IUPAC2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1C(C(=O)O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H21NO4/c1-10-8-16(9-11(2)20-10)14(15(17)18)12-6-4-5-7-13(12)19-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,18)
InChIKeyHKUFDXRQLPVART-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.93
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid

2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid (PubChem CID 84746481) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
PubChem CID84746481
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid
SMILESCOc1ccccc1C(C(=O)O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H21NO4/c1-10-8-16(9-11(2)20-10)14(15(17)18)12-6-4-5-7-13(12)19-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,18)
InChIKeyHKUFDXRQLPVART-UHFFFAOYSA-N
XLogP1.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanamine
CID 30118002
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
2-(2,3-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetic acid
CID 84747599
(2R)-2-(2,3-dimethoxyphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30066490
4-[2-chloro-2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine
CID 82215121
N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-2-phenylethyl]acetamide
CID 99788405
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,3-dimethoxyphenyl)acetic acid
CID 72889820
2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide
CID 84758158
(2R)-2-bromo-2-(2-methoxyphenyl)acetic acid
CID 129386979
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
CID 9249079
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8892178
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 30126358

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid (CID 84746481) is 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid is COc1ccccc1C(C(=O)O)N1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid?
The InChIKey is HKUFDXRQLPVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-8-16(9-11(2)20-10)14(15(17)18)12-6-4-5-7-13(12)19-3/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid?
2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 84746481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).