(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid

C11H21NO3Si — CID 10037438

IUPAC(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
SMILESC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1C(=O)O
InChIInChI=1S/C11H21NO3Si/c1-7-8(10(14)15)12(9(7)13)16(5,6)11(2,3)4/h7-8H,1-6H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyJOUXPQKPKJSQDD-HTQZYQBOSA-N
MW243.38 g/mol
LogP1.92
Rot. Bonds2

About (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid

(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 10037438) has the molecular formula C11H21NO3Si and a molecular weight of 243.38 g/mol. Its IUPAC name is (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
PubChem CID10037438
Molecular FormulaC11H21NO3Si
Molecular Weight243.38 g/mol
Exact Mass243.13
IUPAC Name(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
SMILESC[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1C(=O)O
InChIInChI=1S/C11H21NO3Si/c1-7-8(10(14)15)12(9(7)13)16(5,6)11(2,3)4/h7-8H,1-6H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyJOUXPQKPKJSQDD-HTQZYQBOSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10421900
2-[1-[tert-butyl(dimethyl)silyl]-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-2-methylpropanoic acid
CID 12810778
tert-butyl (2S,3R)-1-[tert-butyl(dimethyl)silyl]-3-ethenyl-4-oxoazetidine-2-carboxylate
CID 12972862
[(2S,3S)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl] acetate
CID 54259413
(3R,4R)-3-amino-1-[tert-butyl(dimethyl)silyl]-4-(hydroxymethyl)azetidin-2-one
CID 18632702
1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one
CID 140707646
3-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidine-2-carboxylic acid
CID 68601652
(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 23239583
1-[tert-butyl(dimethyl)silyl]-4-ethenyl-3-(1-hydroxyethyl)azetidin-2-one
CID 13219686
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one
CID 57138276
1,2,4-trimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 54373210
(5S)-3-methyl-4,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70507843

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid (CID 10037438) is (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid is C[C@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is JOUXPQKPKJSQDD-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H21NO3Si/c1-7-8(10(14)15)12(9(7)13)16(5,6)11(2,3)4/h7-8H,1-6H3,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid?
(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 243.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 10037438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).