2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid

C15H23NO6SSi — CID 67782276

IUPAC2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)O)[C@@H]1[C@@H]1CCCSC1=O
InChIInChI=1S/C15H23NO6SSi/c1-8(22-24(2,3)4)10-11(9-6-5-7-23-15(9)21)16(12(10)17)13(18)14(19)20/h8-11H,5-7H2,1-4H3,(H,19,20)/t8-,9+,10-,11-/m1/s1
InChIKeyZAEZOIKNASEUTP-LMLFDSFASA-N
MW373.50 g/mol
LogP1.33
Rot. Bonds4

About 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid

2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid (PubChem CID 67782276) has the molecular formula C15H23NO6SSi and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid
PubChem CID67782276
Molecular FormulaC15H23NO6SSi
Molecular Weight373.50 g/mol
Exact Mass373.10
IUPAC Name2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid
SMILESC[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)O)[C@@H]1[C@@H]1CCCSC1=O
InChIInChI=1S/C15H23NO6SSi/c1-8(22-24(2,3)4)10-11(9-6-5-7-23-15(9)21)16(12(10)17)13(18)14(19)20/h8-11H,5-7H2,1-4H3,(H,19,20)/t8-,9+,10-,11-/m1/s1
InChIKeyZAEZOIKNASEUTP-LMLFDSFASA-N
XLogP1.33
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3S)-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]-5-azatricyclo[5.5.0.02,5]dodec-6-ene-6-carboxylic acid
CID 67797404
2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-5,7-dimethyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl]-2-oxoacetic acid
CID 67789376
(10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylic acid
CID 139819652
(4-tert-butylphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(1R,3S)-3-methoxy-2-oxocyclohexyl]-4-oxoazetidin-1-yl]-2-oxoacetate
CID 57370265
prop-2-enyl 2-[(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[(3R)-4-oxothian-3-yl]azetidin-1-yl]-2-oxoacetate
CID 57094818
prop-2-enyl (1S,2S,3S)-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]-8,11-dithia-5-azatricyclo[5.4.0.02,5]undec-6-ene-6-carboxylate
CID 15238387
CID 67789560
CID 67789560
(4R,5S,6S)-3-[[4-[(2R)-1,2-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-1,3-thiazol-2-yl]sulfanyl]-4-methyl-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 69421483
2-[(2R,3S)-2-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetic acid
CID 87829099
1-cyclohexylethoxy(trimethyl)silane
CID 20821444
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid
CID 7007237
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(1R,3E)-3-[(2-methyl-4-pyridinyl)methylidene]-2-oxocyclohexyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 22977280

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
The IUPAC name of 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid (CID 67782276) is 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
The canonical SMILES for 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid is C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)O)[C@@H]1[C@@H]1CCCSC1=O.
What is the InChIKey of 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
The InChIKey is ZAEZOIKNASEUTP-LMLFDSFASA-N. The full InChI is InChI=1S/C15H23NO6SSi/c1-8(22-24(2,3)4)10-11(9-6-5-7-23-15(9)21)16(12(10)17)13(18)14(19)20/h8-11H,5-7H2,1-4H3,(H,19,20)/t8-,9+,10-,11-/m1/s1.
What are the key properties of 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid has a molecular weight of 373.50 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(3S,4S)-2-oxo-4-[(3S)-2-oxothian-3-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 67782276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).