3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid

C11H21NO4Si — CID 68794123

IUPAC3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[Si](C)(C)CC1C(=O)O
InChIInChI=1S/C11H21NO4Si/c1-11(2,3)16-10(15)12-7-17(4,5)6-8(12)9(13)14/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyBUYPNQDTQVFCBL-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.94
Rot. Bonds1

About 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid

3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid (PubChem CID 68794123) has the molecular formula C11H21NO4Si and a molecular weight of 259.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid
PubChem CID68794123
Molecular FormulaC11H21NO4Si
Molecular Weight259.38 g/mol
Exact Mass259.12
IUPAC Name3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[Si](C)(C)CC1C(=O)O
InChIInChI=1S/C11H21NO4Si/c1-11(2,3)16-10(15)12-7-17(4,5)6-8(12)9(13)14/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyBUYPNQDTQVFCBL-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
The IUPAC name of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid (CID 68794123) is 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid is CC(C)(C)OC(=O)N1C[Si](C)(C)CC1C(=O)O.
What is the InChIKey of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
The InChIKey is BUYPNQDTQVFCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4Si/c1-11(2,3)16-10(15)12-7-17(4,5)6-8(12)9(13)14/h8H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid has a molecular weight of 259.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid is sourced from PubChem (CID 68794123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).