2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid

C16H23NO4 — CID 175940913

IUPAC2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
SMILESC[C@@H]1CN(CCOc2ccc(CC(=O)O)cc2)C[C@@H](C)O1
InChIInChI=1S/C16H23NO4/c1-12-10-17(11-13(2)21-12)7-8-20-15-5-3-14(4-6-15)9-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyKEOPFIRTNCXPDG-CHWSQXEVSA-N
MW293.36 g/mol
LogP1.80
Rot. Bonds6

About 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid

2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid (PubChem CID 175940913) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
PubChem CID175940913
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
SMILESC[C@@H]1CN(CCOc2ccc(CC(=O)O)cc2)C[C@@H](C)O1
InChIInChI=1S/C16H23NO4/c1-12-10-17(11-13(2)21-12)7-8-20-15-5-3-14(4-6-15)9-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyKEOPFIRTNCXPDG-CHWSQXEVSA-N
XLogP1.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]ethanamine;dihydrochloride
CID 71941842
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
CID 2935770
[4-[2-(4-aminophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932079
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
CID 61299819
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid (CID 175940913) is 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid is C[C@@H]1CN(CCOc2ccc(CC(=O)O)cc2)C[C@@H](C)O1.
What is the InChIKey of 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid?
The InChIKey is KEOPFIRTNCXPDG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-10-17(11-13(2)21-12)7-8-20-15-5-3-14(4-6-15)9-16(18)19/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid?
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 175940913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).