methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate

C23H33NO5Si — CID 67789422

IUPACmethyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C)CC2
InChIInChI=1S/C23H33NO5Si/c1-13(29-30(6,7)23(2,3)4)18-19(24-21(18)26)16-11-10-14-8-9-15(22(27)28-5)12-17(14)20(16)25/h8-9,12-13,16,18-19H,10-11H2,1-7H3,(H,24,26)/t13-,16-,18-,19-/m1/s1
InChIKeyBRWNTWHGENWIER-ZQNRLITLSA-N
MW431.61 g/mol
LogP3.74
Rot. Bonds5

About methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate

methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate (PubChem CID 67789422) has the molecular formula C23H33NO5Si and a molecular weight of 431.61 g/mol. Its IUPAC name is methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
PubChem CID67789422
Molecular FormulaC23H33NO5Si
Molecular Weight431.61 g/mol
Exact Mass431.21
IUPAC Namemethyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C)CC2
InChIInChI=1S/C23H33NO5Si/c1-13(29-30(6,7)23(2,3)4)18-19(24-21(18)26)16-11-10-14-8-9-15(22(27)28-5)12-17(14)20(16)25/h8-9,12-13,16,18-19H,10-11H2,1-7H3,(H,24,26)/t13-,16-,18-,19-/m1/s1
InChIKeyBRWNTWHGENWIER-ZQNRLITLSA-N
XLogP3.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
The IUPAC name of methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate (CID 67789422) is methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
The canonical SMILES for methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(=O)[C@@H]([C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C)CC2.
What is the InChIKey of methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
The InChIKey is BRWNTWHGENWIER-ZQNRLITLSA-N. The full InChI is InChI=1S/C23H33NO5Si/c1-13(29-30(6,7)23(2,3)4)18-19(24-21(18)26)16-11-10-14-8-9-15(22(27)28-5)12-17(14)20(16)25/h8-9,12-13,16,18-19H,10-11H2,1-7H3,(H,24,26)/t13-,16-,18-,19-/m1/s1.
What are the key properties of methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate has a molecular weight of 431.61 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate is sourced from PubChem (CID 67789422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).