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

C20H25NO6Si — CID 67781702

IUPAC2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-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]1C1CCc2ccccc2C1=O
InChIInChI=1S/C20H25NO6Si/c1-11(27-28(2,3)4)15-16(21(18(15)23)19(24)20(25)26)14-10-9-12-7-5-6-8-13(12)17(14)22/h5-8,11,14-16H,9-10H2,1-4H3,(H,25,26)/t11-,14?,15-,16-/m1/s1
InChIKeyFOECBPFHBQNQBK-RALIPGOGSA-N
MW403.51 g/mol
LogP2.11
Rot. Bonds4

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

2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid (PubChem CID 67781702) has the molecular formula C20H25NO6Si and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid
PubChem CID67781702
Molecular FormulaC20H25NO6Si
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-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]1C1CCc2ccccc2C1=O
InChIInChI=1S/C20H25NO6Si/c1-11(27-28(2,3)4)15-16(21(18(15)23)19(24)20(25)26)14-10-9-12-7-5-6-8-13(12)17(14)22/h5-8,11,14-16H,9-10H2,1-4H3,(H,25,26)/t11-,14?,15-,16-/m1/s1
InChIKeyFOECBPFHBQNQBK-RALIPGOGSA-N
XLogP2.11
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
The IUPAC name of 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid (CID 67781702) is 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
The canonical SMILES for 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-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]1C1CCc2ccccc2C1=O.
What is the InChIKey of 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
The InChIKey is FOECBPFHBQNQBK-RALIPGOGSA-N. The full InChI is InChI=1S/C20H25NO6Si/c1-11(27-28(2,3)4)15-16(21(18(15)23)19(24)20(25)26)14-10-9-12-7-5-6-8-13(12)17(14)22/h5-8,11,14-16H,9-10H2,1-4H3,(H,25,26)/t11-,14?,15-,16-/m1/s1.
What are the key properties of 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid?
2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid has a molecular weight of 403.51 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(3S,4R)-2-oxo-4-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 67781702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).