2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid

C15H19NO6 — CID 57024182

IUPAC2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid
SMILESO=C(O)C(=O)O[C@H](COCN1CCOCC1)c1ccccc1
InChIInChI=1S/C15H19NO6/c17-14(18)15(19)22-13(12-4-2-1-3-5-12)10-21-11-16-6-8-20-9-7-16/h1-5,13H,6-11H2,(H,17,18)/t13-/m1/s1
InChIKeyMDWQNKWMUHXQNT-CYBMUJFWSA-N
MW309.32 g/mol
LogP0.66
Rot. Bonds6

About 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid

2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid (PubChem CID 57024182) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid
PubChem CID57024182
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid
SMILESO=C(O)C(=O)O[C@H](COCN1CCOCC1)c1ccccc1
InChIInChI=1S/C15H19NO6/c17-14(18)15(19)22-13(12-4-2-1-3-5-12)10-21-11-16-6-8-20-9-7-16/h1-5,13H,6-11H2,(H,17,18)/t13-/m1/s1
InChIKeyMDWQNKWMUHXQNT-CYBMUJFWSA-N
XLogP0.66
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
(2-morpholin-4-yl-1-phenylethyl) 2-[(2S)-2-(benzoylcarbamoyl)pyrrolidin-1-yl]acetate
CID 22878877
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
N-[(2S)-2-methoxy-2-phenylethyl]morpholine-4-sulfonamide
CID 94024917
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate
CID 14592484
4-(morpholin-4-ylmethoxymethoxymethyl)morpholine;sulfane
CID 121452096
2-morpholin-4-ylethyl N-(2,2-diphenylacetyl)carbamate
CID 54336575
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid?
The IUPAC name of 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid (CID 57024182) is 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid?
The canonical SMILES for 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid is O=C(O)C(=O)O[C@H](COCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid?
The InChIKey is MDWQNKWMUHXQNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO6/c17-14(18)15(19)22-13(12-4-2-1-3-5-12)10-21-11-16-6-8-20-9-7-16/h1-5,13H,6-11H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid?
2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid has a molecular weight of 309.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-(morpholin-4-ylmethoxy)-1-phenylethoxy]-2-oxoacetic acid is sourced from PubChem (CID 57024182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).