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

C11H21NO4Si — CID 10825193

IUPAC(5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C(=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)/t8-/m0/s1
InChIKeyBUYPNQDTQVFCBL-QMMMGPOBSA-N
MW259.38 g/mol
LogP1.94
Rot. Bonds1

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

(5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid (PubChem CID 10825193) has the molecular formula C11H21NO4Si and a molecular weight of 259.38 g/mol. Its IUPAC name is (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid
PubChem CID10825193
Molecular FormulaC11H21NO4Si
Molecular Weight259.38 g/mol
Exact Mass259.12
IUPAC Name(5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C(=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)/t8-/m0/s1
InChIKeyBUYPNQDTQVFCBL-QMMMGPOBSA-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'}

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Related Compounds

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
1-[(Tert-butoxy)carbonyl]-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 68794123
1-tert-butyl 5-methyl (5R)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10730990
Boc-L-SeZ-OH
CID 132519332
N-(tert-Butoxycarbonyl)-N-methyl-D-alanine
CID 16211306
Ethyl (R)-1-Boc-3,3-dimethyl-1,3-azasilolidine-5-carboxylate
CID 132560106
1-(Tert-butyl) 5-methyl (S)-3,3-dimethyl-1,3-azasilolidine-1,5-dicarboxylate
CID 10802244
2-[(2-Methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
CID 22476029
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
CID 22969902
N-[(1,1-Dimethylethoxy)carbonyl]-N-(methyl-d3)-L-alanine
CID 58097600
(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid
CID 58427179

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
The IUPAC name of (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid (CID 10825193) is (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid.
What is the SMILES notation for (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
The canonical SMILES for (5R)-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)C[C@H]1C(=O)O.
What is the InChIKey of (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
The InChIKey is BUYPNQDTQVFCBL-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid?
(5R)-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 (5R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-azasilolidine-5-carboxylic acid is sourced from PubChem (CID 10825193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).