benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate

C23H26FNO8 — CID 91044378

IUPACbenzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate
SMILESCC(C)(C)OC(=O)C(O)C1OCCN(C2C=C(C(=O)OCc3ccccc3)C=C(F)O2)C1=O
InChIInChI=1S/C23H26FNO8/c1-23(2,3)33-22(29)18(26)19-20(27)25(9-10-30-19)17-12-15(11-16(24)32-17)21(28)31-13-14-7-5-4-6-8-14/h4-8,11-12,17-19,26H,9-10,13H2,1-3H3
InChIKeyXIOPLXKVKLXSRQ-UHFFFAOYSA-N
MW463.46 g/mol
LogP1.75
Rot. Bonds6

About benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate

benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate (PubChem CID 91044378) has the molecular formula C23H26FNO8 and a molecular weight of 463.46 g/mol. Its IUPAC name is benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate.

Molecular Properties

Compound Namebenzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate
PubChem CID91044378
Molecular FormulaC23H26FNO8
Molecular Weight463.46 g/mol
Exact Mass463.16
IUPAC Namebenzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate
SMILESCC(C)(C)OC(=O)C(O)C1OCCN(C2C=C(C(=O)OCc3ccccc3)C=C(F)O2)C1=O
InChIInChI=1S/C23H26FNO8/c1-23(2,3)33-22(29)18(26)19-20(27)25(9-10-30-19)17-12-15(11-16(24)32-17)21(28)31-13-14-7-5-4-6-8-14/h4-8,11-12,17-19,26H,9-10,13H2,1-3H3
InChIKeyXIOPLXKVKLXSRQ-UHFFFAOYSA-N
XLogP1.75
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylmethoxyethyl]but-3-enoate
CID 101105016
methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate
CID 134864380
ethyl 1-(5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carbonyl)piperidine-4-carboxylate
CID 42227171
methyl 1-(5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carbonyl)piperidine-4-carboxylate
CID 42227172
4-[3-[(4-Fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82056183
4-[3-[(2-Fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82056184
4-[3-[(3-Fluorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82056204
2,3-Dibenzoyloxy-4-(diethylamino)-4-oxobutanoic acid
CID 13953285
(2R,3R)-2,3-dibenzoyloxy-4-(diethylamino)-4-oxobutanoic acid
CID 13953286
4-O-tert-butyl 2-O-ethyl 2-(2-oxo-2-phenylmethoxyethyl)morpholine-2,4-dicarboxylate
CID 59373290
(2S,3S)-4-(dimethylamino)-4-oxo-2,3-bis(phenylmethoxy)butanoic acid
CID 66681390
4-(Dimethylamino)-4-oxo-2,3-bis(phenylmethoxy)butanoic acid
CID 77177719

Frequently Asked Questions

What is the IUPAC name of benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate?
The IUPAC name of benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate (CID 91044378) is benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate.
What is the SMILES notation for benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate?
The canonical SMILES for benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate is CC(C)(C)OC(=O)C(O)C1OCCN(C2C=C(C(=O)OCc3ccccc3)C=C(F)O2)C1=O.
What is the InChIKey of benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate?
The InChIKey is XIOPLXKVKLXSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO8/c1-23(2,3)33-22(29)18(26)19-20(27)25(9-10-30-19)17-12-15(11-16(24)32-17)21(28)31-13-14-7-5-4-6-8-14/h4-8,11-12,17-19,26H,9-10,13H2,1-3H3.
What are the key properties of benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate?
benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate has a molecular weight of 463.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate is sourced from PubChem (CID 91044378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).