(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid

C12H23NO4Si — CID 58427179

IUPAC(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[Si](C)(C)C[C@H]1C(=O)O
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)17-11(16)13-6-7-18(4,5)8-9(13)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyCIKAILHCLRRSOB-VIFPVBQESA-N
MW273.40 g/mol
LogP2.40
Rot. Bonds1

About (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid

(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid (PubChem CID 58427179) has the molecular formula C12H23NO4Si and a molecular weight of 273.40 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid
PubChem CID58427179
Molecular FormulaC12H23NO4Si
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[Si](C)(C)C[C@H]1C(=O)O
InChIInChI=1S/C12H23NO4Si/c1-12(2,3)17-11(16)13-6-7-18(4,5)8-9(13)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKeyCIKAILHCLRRSOB-VIFPVBQESA-N
XLogP2.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.40
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-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735645
2-{[(Tert-butoxy)carbonyl](ethyl)amino}propanoic acid
CID 20271889
1-[(Tert-butoxy)carbonyl]-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 68794123
2-{4-[(Tert-butoxy)carbonyl]-2-oxopiperazin-1-yl}propanoic acid
CID 89689716
(R)-1-(tert-butoxycarbonyl)-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
CID 10825193
(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
CID 7146381
2-[(2-Methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
CID 22476029
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-trimethylsilylamino]propanoic acid
CID 22969902
N-Boc-N-ethyl-D-alanine
CID 53835508
1-O-tert-butyl 2-O-methyl (2R)-4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate
CID 58427035
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}propanoic acid
CID 64146116
2-(1-Boc-piperazin-4-yl)propionic acid hcl
CID 67401063

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid?
The IUPAC name of (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid (CID 58427179) is (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid.
What is the SMILES notation for (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid?
The canonical SMILES for (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid is CC(C)(C)OC(=O)N1CC[Si](C)(C)C[C@H]1C(=O)O.
What is the InChIKey of (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid?
The InChIKey is CIKAILHCLRRSOB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23NO4Si/c1-12(2,3)17-11(16)13-6-7-18(4,5)8-9(13)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid?
(2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid has a molecular weight of 273.40 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azasilinane-2-carboxylic acid is sourced from PubChem (CID 58427179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).