[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate

C19H21FN2O7 — CID 87243683

IUPAC[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
SMILESCC(=O)O[C@H](C=O)[C@H]1OCCN(c2cccc(C(=O)N3CCOCC3)c2F)C1=O
InChIInChI=1S/C19H21FN2O7/c1-12(24)29-15(11-23)17-19(26)22(7-10-28-17)14-4-2-3-13(16(14)20)18(25)21-5-8-27-9-6-21/h2-4,11,15,17H,5-10H2,1H3/t15-,17-/m1/s1
InChIKeyRQGOJYFPTBFWMN-NVXWUHKLSA-N
MW408.38 g/mol
LogP0.16
Rot. Bonds5

About [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate

[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate (PubChem CID 87243683) has the molecular formula C19H21FN2O7 and a molecular weight of 408.38 g/mol. Its IUPAC name is [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
PubChem CID87243683
Molecular FormulaC19H21FN2O7
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC Name[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
SMILESCC(=O)O[C@H](C=O)[C@H]1OCCN(c2cccc(C(=O)N3CCOCC3)c2F)C1=O
InChIInChI=1S/C19H21FN2O7/c1-12(24)29-15(11-23)17-19(26)22(7-10-28-17)14-4-2-3-13(16(14)20)18(25)21-5-8-27-9-6-21/h2-4,11,15,17H,5-10H2,1H3/t15-,17-/m1/s1
InChIKeyRQGOJYFPTBFWMN-NVXWUHKLSA-N
XLogP0.16
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid
CID 58181883
(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid
CID 67033718
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid
CID 67032866
(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 166001125
[1-[4-[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[(2-methylpropan-2-yl)oxy]prop-2-enyl] acetate
CID 91354252
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
tert-butyl 2-[4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76717191
methyl 2-(difluoromethoxy)-3-[(2R)-2-[(1R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 67223177
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
[1-[4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-2-oxoethyl] acetate
CID 67221993
[1-[4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-[[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-2-oxoethyl] acetate
CID 67222080

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
The IUPAC name of [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate (CID 87243683) is [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
The canonical SMILES for [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate is CC(=O)O[C@H](C=O)[C@H]1OCCN(c2cccc(C(=O)N3CCOCC3)c2F)C1=O.
What is the InChIKey of [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
The InChIKey is RQGOJYFPTBFWMN-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H21FN2O7/c1-12(24)29-15(11-23)17-19(26)22(7-10-28-17)14-4-2-3-13(16(14)20)18(25)21-5-8-27-9-6-21/h2-4,11,15,17H,5-10H2,1H3/t15-,17-/m1/s1.
What are the key properties of [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate?
[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate has a molecular weight of 408.38 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 87243683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).