2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid

C17H24N2O5 — CID 125020894

IUPAC2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
SMILESCN(C)C(=O)[C@]1(C)CN(Cc2ccc(OCC(=O)O)cc2)CCO1
InChIInChI=1S/C17H24N2O5/c1-17(16(22)18(2)3)12-19(8-9-24-17)10-13-4-6-14(7-5-13)23-11-15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyYFYYXKZAWBLFLV-KRWDZBQOSA-N
MW336.39 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid

2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid (PubChem CID 125020894) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
PubChem CID125020894
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
SMILESCN(C)C(=O)[C@]1(C)CN(Cc2ccc(OCC(=O)O)cc2)CCO1
InChIInChI=1S/C17H24N2O5/c1-17(16(22)18(2)3)12-19(8-9-24-17)10-13-4-6-14(7-5-13)23-11-15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyYFYYXKZAWBLFLV-KRWDZBQOSA-N
XLogP0.83
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
CID 132948171
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124961584
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
2-[5-[[2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]furan-2-yl]benzoic acid
CID 110097035
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid (CID 125020894) is 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid is CN(C)C(=O)[C@]1(C)CN(Cc2ccc(OCC(=O)O)cc2)CCO1.
What is the InChIKey of 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid?
The InChIKey is YFYYXKZAWBLFLV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(16(22)18(2)3)12-19(8-9-24-17)10-13-4-6-14(7-5-13)23-11-15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid?
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 125020894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).