prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate

C20H33N3O5Si — CID 173391028

IUPACprop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=O)[C@H](CC)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C20H33N3O5Si/c1-9-11-27-18(26)15(23-21)16(24)12(10-2)14-13(17(25)22-14)20(6,19(3,4)5)28-29(7)8/h9,12-14,29H,1,10-11H2,2-8H3,(H,22,25)/t12-,13-,14-,20-/m1/s1
InChIKeyYKGLOYLUUAWZAK-POLYTFBCSA-N
MW423.59 g/mol
LogP1.90
Rot. Bonds10

About prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate

prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate (PubChem CID 173391028) has the molecular formula C20H33N3O5Si and a molecular weight of 423.59 g/mol. Its IUPAC name is prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate.

Molecular Properties

Compound Nameprop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate
PubChem CID173391028
Molecular FormulaC20H33N3O5Si
Molecular Weight423.59 g/mol
Exact Mass423.22
IUPAC Nameprop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=O)[C@H](CC)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C20H33N3O5Si/c1-9-11-27-18(26)15(23-21)16(24)12(10-2)14-13(17(25)22-14)20(6,19(3,4)5)28-29(7)8/h9,12-14,29H,1,10-11H2,2-8H3,(H,22,25)/t12-,13-,14-,20-/m1/s1
InChIKeyYKGLOYLUUAWZAK-POLYTFBCSA-N
XLogP1.90
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate?
The IUPAC name of prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate (CID 173391028) is prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate.
What is the SMILES notation for prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate?
The canonical SMILES for prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate is C=CCOC(=O)C(=[N+]=[N-])C(=O)[C@H](CC)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate?
The InChIKey is YKGLOYLUUAWZAK-POLYTFBCSA-N. The full InChI is InChI=1S/C20H33N3O5Si/c1-9-11-27-18(26)15(23-21)16(24)12(10-2)14-13(17(25)22-14)20(6,19(3,4)5)28-29(7)8/h9,12-14,29H,1,10-11H2,2-8H3,(H,22,25)/t12-,13-,14-,20-/m1/s1.
What are the key properties of prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate?
prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate has a molecular weight of 423.59 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4R)-2-diazo-4-[(2R,3S)-3-[(2R)-2-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxohexanoate is sourced from PubChem (CID 173391028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).