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

C19H31N3O5Si — CID 131715918

IUPACprop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])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/C19H31N3O5Si/c1-9-10-26-18(25)15(22-20)16(23)11(2)14-13(17(24)21-14)12(3)27-28(7,8)19(4,5)6/h9,11-14H,1,10H2,2-8H3,(H,21,24)/t11-,12-,13-,14-/m1/s1
InChIKeyPSEOTXKCGCMTKN-AAVRWANBSA-N
MW409.56 g/mol
LogP2.12
Rot. Bonds9

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

prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate (PubChem CID 131715918) has the molecular formula C19H31N3O5Si and a molecular weight of 409.56 g/mol. Its IUPAC name is prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate.

Molecular Properties

Compound Nameprop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate
PubChem CID131715918
Molecular FormulaC19H31N3O5Si
Molecular Weight409.56 g/mol
Exact Mass409.20
IUPAC Nameprop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])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/C19H31N3O5Si/c1-9-10-26-18(25)15(22-20)16(23)11(2)14-13(17(24)21-14)12(3)27-28(7,8)19(4,5)6/h9,11-14H,1,10H2,2-8H3,(H,21,24)/t11-,12-,13-,14-/m1/s1
InChIKeyPSEOTXKCGCMTKN-AAVRWANBSA-N
XLogP2.12
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.12
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)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate?
The IUPAC name of prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate (CID 131715918) is prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate.
What is the SMILES notation for prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate?
The canonical SMILES for prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate is C=CCOC(=O)C(=[N+]=[N-])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 prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate?
The InChIKey is PSEOTXKCGCMTKN-AAVRWANBSA-N. The full InChI is InChI=1S/C19H31N3O5Si/c1-9-10-26-18(25)15(22-20)16(23)11(2)14-13(17(24)21-14)12(3)27-28(7,8)19(4,5)6/h9,11-14H,1,10H2,2-8H3,(H,21,24)/t11-,12-,13-,14-/m1/s1.
What are the key properties of prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate?
prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate has a molecular weight of 409.56 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4R)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2-diazo-3-oxopentanoate is sourced from PubChem (CID 131715918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).