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

C18H31NO5Si — CID 67849675

IUPACprop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESC=CCOC(=O)CC(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NO5Si/c1-8-9-23-15(21)11-13(20)10-14-16(17(22)19-14)12(2)24-25(6,7)18(3,4)5/h8,12,14,16H,1,9-11H2,2-7H3,(H,19,22)/t12-,14-,16-/m1/s1
InChIKeyUVJKFDPQXLKUIP-XNRPHZJLSA-N
MW369.53 g/mol
LogP2.59
Rot. Bonds9

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

prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate (PubChem CID 67849675) has the molecular formula C18H31NO5Si and a molecular weight of 369.53 g/mol. Its IUPAC name is prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
PubChem CID67849675
Molecular FormulaC18H31NO5Si
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC Nameprop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESC=CCOC(=O)CC(=O)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NO5Si/c1-8-9-23-15(21)11-13(20)10-14-16(17(22)19-14)12(2)24-25(6,7)18(3,4)5/h8,12,14,16H,1,9-11H2,2-7H3,(H,19,22)/t12-,14-,16-/m1/s1
InChIKeyUVJKFDPQXLKUIP-XNRPHZJLSA-N
XLogP2.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The IUPAC name of prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate (CID 67849675) is prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate.
What is the SMILES notation for prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The canonical SMILES for prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate is C=CCOC(=O)CC(=O)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 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The InChIKey is UVJKFDPQXLKUIP-XNRPHZJLSA-N. The full InChI is InChI=1S/C18H31NO5Si/c1-8-9-23-15(21)11-13(20)10-14-16(17(22)19-14)12(2)24-25(6,7)18(3,4)5/h8,12,14,16H,1,9-11H2,2-7H3,(H,19,22)/t12-,14-,16-/m1/s1.
What are the key properties of prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate has a molecular weight of 369.53 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-3-oxobutanoate is sourced from PubChem (CID 67849675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).