(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide

C12H24N2O3Si — CID 53468918

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24N2O3Si/c1-12(2,3)18(6,7)14-9(8-10(14)15)11(16)13(4)17-5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyKGMDILOLTHVMIY-VIFPVBQESA-N
MW272.42 g/mol
LogP1.61
Rot. Bonds3

About (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide

(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide (PubChem CID 53468918) has the molecular formula C12H24N2O3Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide
PubChem CID53468918
Molecular FormulaC12H24N2O3Si
Molecular Weight272.42 g/mol
Exact Mass272.16
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24N2O3Si/c1-12(2,3)18(6,7)14-9(8-10(14)15)11(16)13(4)17-5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyKGMDILOLTHVMIY-VIFPVBQESA-N
XLogP1.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one
CID 57138276
tert-butyl 3-[methoxy(methyl)carbamoyl]morpholine-4-carboxylate
CID 22309118
tert-butyl (1S,3S,5S)-3-[methoxy(methyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 176593932
(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 89401756
tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 10635916
(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one
CID 102594612
(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 23239583
tert-butyl (4R)-4-methoxy-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126608604
3-[methoxy(methyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 90099642
(4R)-4-acetyl-1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141191572
(2R)-2-[methoxy(methyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 155669456
tert-butyl 2-[methoxy(methyl)carbamoyl]-5-phenylpyrrolidine-1-carboxylate
CID 87452303

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide (CID 53468918) is (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide is CON(C)C(=O)[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide?
The InChIKey is KGMDILOLTHVMIY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3Si/c1-12(2,3)18(6,7)14-9(8-10(14)15)11(16)13(4)17-5/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide?
(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide has a molecular weight of 272.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide is sourced from PubChem (CID 53468918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).