prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate

C18H29N3O5Si — CID 137329129

IUPACprop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C18H29N3O5Si/c1-7-8-25-17(24)15(21-19)13(22)9-12-14(16(23)20-12)11(18(2,3)4)10-26-27(5)6/h7,11-12,14,27H,1,8-10H2,2-6H3,(H,20,23)/t11-,12-,14+/m1/s1
InChIKeyPFOFUEHHEBMALG-BZPMIXESSA-N
MW395.53 g/mol
LogP1.12
Rot. Bonds10

About prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate

prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate (PubChem CID 137329129) has the molecular formula C18H29N3O5Si and a molecular weight of 395.53 g/mol. Its IUPAC name is prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate
PubChem CID137329129
Molecular FormulaC18H29N3O5Si
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Nameprop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C18H29N3O5Si/c1-7-8-25-17(24)15(21-19)13(22)9-12-14(16(23)20-12)11(18(2,3)4)10-26-27(5)6/h7,11-12,14,27H,1,8-10H2,2-6H3,(H,20,23)/t11-,12-,14+/m1/s1
InChIKeyPFOFUEHHEBMALG-BZPMIXESSA-N
XLogP1.12
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.12
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'}

Analyze prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The IUPAC name of prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate (CID 137329129) is prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate.
What is the SMILES notation for prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The canonical SMILES for prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate is C=CCOC(=O)C(=[N+]=[N-])C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The InChIKey is PFOFUEHHEBMALG-BZPMIXESSA-N. The full InChI is InChI=1S/C18H29N3O5Si/c1-7-8-25-17(24)15(21-19)13(22)9-12-14(16(23)20-12)11(18(2,3)4)10-26-27(5)6/h7,11-12,14,27H,1,8-10H2,2-6H3,(H,20,23)/t11-,12-,14+/m1/s1.
What are the key properties of prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate has a molecular weight of 395.53 g/mol, XLogP of 1.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-diazo-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxobutanoate is sourced from PubChem (CID 137329129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).