(2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid

C30H43N3O6Si — CID 142386673

About (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid

(2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid (PubChem CID 142386673) has the molecular formula C30H43N3O6Si and a molecular weight of 569.78 g/mol. Its IUPAC name is (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid
• PubChem CID: 142386673
• Molecular Formula: C30H43N3O6Si
• Molecular Weight: 569.78 g/mol
• Exact Mass: 569.29
• IUPAC Name: (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid
• SMILES: COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C[C@H]3C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]3C(=O)O)cc(C)n2)cc1
• InChI: InChI=1S/C30H43N3O6Si/c1-19-15-21(16-23-25(27(35)36)33(26(23)34)40(9,10)30(5,6)7)17-24(31-19)32(28(37)39-29(2,3)4)18-20-11-13-22(38-8)14-12-20/h11-15,17,23,25H,16,18H2,1-10H3,(H,35,36)/t23-,25+/m1/s1
• InChIKey: NJOSLCHDQLLHDK-NOZRDPDXSA-N
• XLogP: 5.80
• TPSA: 109.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.78
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid?

The IUPAC name of (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid (CID 142386673) is (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid.

What is the SMILES notation for (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid?

The canonical SMILES for (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid is COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C[C@H]3C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]3C(=O)O)cc(C)n2)cc1.

What is the InChIKey of (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid?

The InChIKey is NJOSLCHDQLLHDK-NOZRDPDXSA-N. The full InChI is InChI=1S/C30H43N3O6Si/c1-19-15-21(16-23-25(27(35)36)33(26(23)34)40(9,10)30(5,6)7)17-24(31-19)32(28(37)39-29(2,3)4)18-20-11-13-22(38-8)14-12-20/h11-15,17,23,25H,16,18H2,1-10H3,(H,35,36)/t23-,25+/m1/s1.

What are the key properties of (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid?

(2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid has a molecular weight of 569.78 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-[[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-4-pyridinyl]methyl]-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 142386673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).