(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid

C19H34FN3O4Si — CID 89451748

About (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid

(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid (PubChem CID 89451748) has the molecular formula C19H34FN3O4Si and a molecular weight of 415.58 g/mol. Its IUPAC name is (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid.

Molecular Properties

• Compound Name: (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
• PubChem CID: 89451748
• Molecular Formula: C19H34FN3O4Si
• Molecular Weight: 415.58 g/mol
• Exact Mass: 415.23
• IUPAC Name: (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1CN(C(=O)O)C2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C19H34FN3O4Si/c1-18(2,3)28(4,5)27-11-14-10-23(17(25)26)19(6-7-19)12-22(14)16(24)15-8-13(20)9-21-15/h13-15,21H,6-12H2,1-5H3,(H,25,26)/t13-,14-,15+/m1/s1
• InChIKey: FBBGFHYMYRNYHO-KFWWJZLASA-N
• XLogP: 2.43
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.58
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

The IUPAC name of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid (CID 89451748) is (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid.

What is the SMILES notation for (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

The canonical SMILES for (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid is CC(C)(C)[Si](C)(C)OC[C@H]1CN(C(=O)O)C2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

The InChIKey is FBBGFHYMYRNYHO-KFWWJZLASA-N. The full InChI is InChI=1S/C19H34FN3O4Si/c1-18(2,3)28(4,5)27-11-14-10-23(17(25)26)19(6-7-19)12-22(14)16(24)15-8-13(20)9-21-15/h13-15,21H,6-12H2,1-5H3,(H,25,26)/t13-,14-,15+/m1/s1.

What are the key properties of (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid?

(6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid has a molecular weight of 415.58 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-4-carboxylic acid is sourced from PubChem (CID 89451748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).