1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate

C24H41NO7Si — CID 134990896

IUPAC1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate
SMILESC=CCOC(=O)C(C(=O)OC(C)(C)C)C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H41NO7Si/c1-12-13-30-21(28)17(22(29)31-23(4,5)6)19(26)14(2)18-16(20(27)25-18)15(3)32-33(10,11)24(7,8)9/h12,14-18H,1,13H2,2-11H3,(H,25,27)/t14-,15-,16-,17?,18-/m1/s1
InChIKeyNSONECXRWKLVIJ-RHUNZGAZSA-N
MW483.68 g/mol
LogP3.40
Rot. Bonds10

About 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate

1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate (PubChem CID 134990896) has the molecular formula C24H41NO7Si and a molecular weight of 483.68 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate
PubChem CID134990896
Molecular FormulaC24H41NO7Si
Molecular Weight483.68 g/mol
Exact Mass483.27
IUPAC Name1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate
SMILESC=CCOC(=O)C(C(=O)OC(C)(C)C)C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H41NO7Si/c1-12-13-30-21(28)17(22(29)31-23(4,5)6)19(26)14(2)18-16(20(27)25-18)15(3)32-33(10,11)24(7,8)9/h12,14-18H,1,13H2,2-11H3,(H,25,27)/t14-,15-,16-,17?,18-/m1/s1
InChIKeyNSONECXRWKLVIJ-RHUNZGAZSA-N
XLogP3.40
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate?
The IUPAC name of 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate (CID 134990896) is 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate.
What is the SMILES notation for 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate?
The canonical SMILES for 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate is C=CCOC(=O)C(C(=O)OC(C)(C)C)C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate?
The InChIKey is NSONECXRWKLVIJ-RHUNZGAZSA-N. The full InChI is InChI=1S/C24H41NO7Si/c1-12-13-30-21(28)17(22(29)31-23(4,5)6)19(26)14(2)18-16(20(27)25-18)15(3)32-33(10,11)24(7,8)9/h12,14-18H,1,13H2,2-11H3,(H,25,27)/t14-,15-,16-,17?,18-/m1/s1.
What are the key properties of 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate?
1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate has a molecular weight of 483.68 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-prop-2-enyl 2-[(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]propanedioate is sourced from PubChem (CID 134990896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).