(2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C19H35NO4Si — CID 102086979

About (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 102086979) has the molecular formula C19H35NO4Si and a molecular weight of 369.58 g/mol. Its IUPAC name is (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 102086979
• Molecular Formula: C19H35NO4Si
• Molecular Weight: 369.58 g/mol
• Exact Mass: 369.23
• IUPAC Name: (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(C/C=C\[Si](C)(C)C(C)(C)C)C(=O)O
• InChI: InChI=1S/C19H35NO4Si/c1-17(2,3)24-16(23)20-13-9-11-19(20,15(21)22)12-10-14-25(7,8)18(4,5)6/h10,14H,9,11-13H2,1-8H3,(H,21,22)/b14-10-/t19-/m0/s1
• InChIKey: ZYFKNWOWSSNPJC-CPPNXCSESA-N
• XLogP: 4.83
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.58
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 102086979) is (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@]1(C/C=C\[Si](C)(C)C(C)(C)C)C(=O)O.

What is the InChIKey of (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?

The InChIKey is ZYFKNWOWSSNPJC-CPPNXCSESA-N. The full InChI is InChI=1S/C19H35NO4Si/c1-17(2,3)24-16(23)20-13-9-11-19(20,15(21)22)12-10-14-25(7,8)18(4,5)6/h10,14H,9,11-13H2,1-8H3,(H,21,22)/b14-10-/t19-/m0/s1.

What are the key properties of (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?

(2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 369.58 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(Z)-3-[tert-butyl(dimethyl)silyl]prop-2-enyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102086979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).