[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate

C27H32N2O6 — CID 135195260

IUPAC[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
SMILESCOc1ccnc2c(=O)n([C@@H](C)C(=O)O[C@@H](C)[C@@H](c3ccc(C)cc3C)C3CCCC3)c(=O)oc12
InChIInChI=1S/C27H32N2O6/c1-15-10-11-20(16(2)14-15)22(19-8-6-7-9-19)18(4)34-26(31)17(3)29-25(30)23-24(35-27(29)32)21(33-5)12-13-28-23/h10-14,17-19,22H,6-9H2,1-5H3/t17-,18-,22+/m0/s1
InChIKeyZESFCSCXENCHLR-NPPFBWRTSA-N
MW480.56 g/mol
LogP4.44
Rot. Bonds7

About [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate

[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate (PubChem CID 135195260) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate.

Molecular Properties

Compound Name[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
PubChem CID135195260
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
SMILESCOc1ccnc2c(=O)n([C@@H](C)C(=O)O[C@@H](C)[C@@H](c3ccc(C)cc3C)C3CCCC3)c(=O)oc12
InChIInChI=1S/C27H32N2O6/c1-15-10-11-20(16(2)14-15)22(19-8-6-7-9-19)18(4)34-26(31)17(3)29-25(30)23-24(35-27(29)32)21(33-5)12-13-28-23/h10-14,17-19,22H,6-9H2,1-5H3/t17-,18-,22+/m0/s1
InChIKeyZESFCSCXENCHLR-NPPFBWRTSA-N
XLogP4.44
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate with MolForge

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Related Compounds

[(2S,3S)-3-phenylbutan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
CID 139472741
[(4R)-2-methyl-4-phenoxypentan-3-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
CID 134296119
[(3S,4R)-2-methyl-4-phenoxypentan-3-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
CID 134294102
[(1R,2S)-1-cyclohexyl-1-(2,4-dimethylphenyl)propan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 147093096
[(2S,3S)-3-phenylbutan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate;[(2S,3S)-3-phenylbutan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate
CID 159891192
(2S)-N'-[bis(3-cyclopropylphenyl)methyl]-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)-N'-methylpropanehydrazide
CID 162758715
[(1R,2S)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 135195219
[(1R,2S)-1-cyclobutyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 135195222
[(2S,3S)-3-(2,4-dimethylphenyl)butan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 157306977
[(2S,3R)-3-(2,4-dimethylphenyl)-4-methylpentan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 157110644
[(1R,2S)-1-(2-chloro-4-methylphenoxy)-1-cyclopentylpropan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 148746943
[(1R,2S)-1-cyclopentyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 135199315

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate?
The IUPAC name of [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate (CID 135195260) is [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate.
What is the SMILES notation for [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate?
The canonical SMILES for [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate is COc1ccnc2c(=O)n([C@@H](C)C(=O)O[C@@H](C)[C@@H](c3ccc(C)cc3C)C3CCCC3)c(=O)oc12.
What is the InChIKey of [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate?
The InChIKey is ZESFCSCXENCHLR-NPPFBWRTSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-15-10-11-20(16(2)14-15)22(19-8-6-7-9-19)18(4)34-26(31)17(3)29-25(30)23-24(35-27(29)32)21(33-5)12-13-28-23/h10-14,17-19,22H,6-9H2,1-5H3/t17-,18-,22+/m0/s1.
What are the key properties of [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate?
[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate has a molecular weight of 480.56 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-(8-methoxy-2,4-dioxopyrido[2,3-e][1,3]oxazin-3-yl)propanoate is sourced from PubChem (CID 135195260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).