methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

C24H39N3O7Si — CID 11504416

IUPACmethyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
SMILESC=CCN1C(=O)[C@H](OC)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[C@](C)(C(=O)OC)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C24H39N3O7Si/c1-11-12-27-16(18(32-7)21(27)30)17(34-35(9,10)23(2,3)4)15-13-14(20(29)26(6)19(13)28)24(5,25-15)22(31)33-8/h11,13-18,25H,1,12H2,2-10H3/t13?,14?,15-,16+,17-,18-,24+/m1/s1
InChIKeyGFBJRLWYCNWPFU-RWGAXDAASA-N
MW509.68 g/mol
LogP0.92
Rot. Bonds8

About methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate (PubChem CID 11504416) has the molecular formula C24H39N3O7Si and a molecular weight of 509.68 g/mol. Its IUPAC name is methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
PubChem CID11504416
Molecular FormulaC24H39N3O7Si
Molecular Weight509.68 g/mol
Exact Mass509.26
IUPAC Namemethyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
SMILESC=CCN1C(=O)[C@H](OC)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[C@](C)(C(=O)OC)C2C(=O)N(C)C(=O)C21
InChIInChI=1S/C24H39N3O7Si/c1-11-12-27-16(18(32-7)21(27)30)17(34-35(9,10)23(2,3)4)15-13-14(20(29)26(6)19(13)28)24(5,25-15)22(31)33-8/h11,13-18,25H,1,12H2,2-10H3/t13?,14?,15-,16+,17-,18-,24+/m1/s1
InChIKeyGFBJRLWYCNWPFU-RWGAXDAASA-N
XLogP0.92
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl (1R,3S,3aR,6aS)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3-methyl-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 101376536
dimethyl (2R,4R,5S)-5-[(2S,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]-2-methylpyrrolidine-2,4-dicarboxylate
CID 11186853
(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-enylpyrrolidine-2-carbonitrile
CID 24777602
[(1R)-3-bromo-1-[(2S,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]but-3-enyl] acetate
CID 11739052
trimethyl (2S,3S,4S,5R)-5-[(2S,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]-2-methyl-1-prop-2-enoylpyrrolidine-2,3,4-tricarboxylate
CID 12966700
methyl 2-[[(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethylidene]amino]acetate
CID 11517701
(3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-1-prop-2-enylpyrrolidin-2-one
CID 11261408
dimethyl (1S,3aR,6aS)-5-methyl-4,6-dioxo-1-phenyl-3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,3-dicarboxylate
CID 98545811
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]propanoate
CID 72714260
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-sulfanylazetidin-1-yl]acetate
CID 10926469
(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 140703040
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 11811871

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
The IUPAC name of methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate (CID 11504416) is methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate.
What is the SMILES notation for methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
The canonical SMILES for methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate is C=CCN1C(=O)[C@H](OC)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[C@](C)(C(=O)OC)C2C(=O)N(C)C(=O)C21.
What is the InChIKey of methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
The InChIKey is GFBJRLWYCNWPFU-RWGAXDAASA-N. The full InChI is InChI=1S/C24H39N3O7Si/c1-11-12-27-16(18(32-7)21(27)30)17(34-35(9,10)23(2,3)4)15-13-14(20(29)26(6)19(13)28)24(5,25-15)22(31)33-8/h11,13-18,25H,1,12H2,2-10H3/t13?,14?,15-,16+,17-,18-,24+/m1/s1.
What are the key properties of methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate?
methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate has a molecular weight of 509.68 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3S)-1-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(2R,3R)-3-methoxy-4-oxo-1-prop-2-enylazetidin-2-yl]methyl]-3,5-dimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate is sourced from PubChem (CID 11504416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).