N-[(2S,3S)-2-Methyl-4-oxo-3-azetidinyl]-carbamic Acid 1,1-Dimethylethyl Ester - CAS 80582-03-2
Catalog: |
BB076060 |
Product Name: |
N-[(2S,3S)-2-Methyl-4-oxo-3-azetidinyl]-carbamic Acid 1,1-Dimethylethyl Ester |
CAS: |
80582-03-2 |
Synonyms: |
(2S-trans)-2-Methyl-4-oxo-3-azetidinyl]-carbamic Acid 1,1-Dimethylethyl Ester; N-[(2S,3S)-2-Methyl-4-oxo-3-azetidinyl]-carbamic Acid tert-Butyl Ester |
IUPAC Name: | tert-butyl N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate |
Description: | Aztreonam intermediate. |
Molecular Weight: | 200.23 |
Molecular Formula: | C9H16N2O3 |
Canonical SMILES: | CC1C(C(=O)N1)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H16N2O3/c1-5-6(7(12)10-5)11-8(13)14-9(2,3)4/h5-6H,1-4H3,(H,10,12)(H,11,13)/t5-,6-/m0/s1 |
InChI Key: | VSTSKETWEBYEHL-WDSKDSINSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | White Solid |
References: | Kawabata, T. et al.; Tetrahedron Lett. 30, 4837 (1989). |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.11609238 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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