(5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C25H40N2O7Si — CID 173354061

About (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 173354061) has the molecular formula C25H40N2O7Si and a molecular weight of 508.69 g/mol. Its IUPAC name is (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

• Compound Name: (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• PubChem CID: 173354061
• Molecular Formula: C25H40N2O7Si
• Molecular Weight: 508.69 g/mol
• Exact Mass: 508.26
• IUPAC Name: (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• SMILES: C=CCOC(=O)N1CC(C2=C(C(=O)O)N3C(=O)[C@@H]([C@@H](CO[SiH](C)C)C(C)(C)C)[C@H]3C2)C[C@H]1COC
• InChI: InChI=1S/C25H40N2O7Si/c1-8-9-33-24(31)26-12-15(10-16(26)13-32-5)17-11-19-20(22(28)27(19)21(17)23(29)30)18(25(2,3)4)14-34-35(6)7/h8,15-16,18-20,35H,1,9-14H2,2-7H3,(H,29,30)/t15?,16-,18+,19+,20-/m0/s1
• InChIKey: CAXRSTIXXPHVPI-VIHFOQNISA-N
• XLogP: 2.88
• TPSA: 105.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.69
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?

The IUPAC name of (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 173354061) is (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

What is the SMILES notation for (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?

The canonical SMILES for (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is C=CCOC(=O)N1CC(C2=C(C(=O)O)N3C(=O)[C@@H]([C@@H](CO[SiH](C)C)C(C)(C)C)[C@H]3C2)C[C@H]1COC.

What is the InChIKey of (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?

The InChIKey is CAXRSTIXXPHVPI-VIHFOQNISA-N. The full InChI is InChI=1S/C25H40N2O7Si/c1-8-9-33-24(31)26-12-15(10-16(26)13-32-5)17-11-19-20(22(28)27(19)21(17)23(29)30)18(25(2,3)4)14-34-35(6)7/h8,15-16,18-20,35H,1,9-14H2,2-7H3,(H,29,30)/t15?,16-,18+,19+,20-/m0/s1.

What are the key properties of (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?

(5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 508.69 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-6-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-3-[(5S)-5-(methoxymethyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 173354061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).