prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate

C23H29NO6Si — CID 15238297

IUPACprop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate
SMILESC=CCOC(=O)C(=O)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1[C@H]1CCc2ccccc2C1=O
InChIInChI=1S/C23H29NO6Si/c1-6-13-29-23(28)22(27)24-19(18(21(24)26)14(2)30-31(3,4)5)17-12-11-15-9-7-8-10-16(15)20(17)25/h6-10,14,17-19H,1,11-13H2,2-5H3/t14-,17-,18-,19-/m1/s1
InChIKeyOZNUBVSBFCBHSF-UTRMSSBJSA-N
MW443.57 g/mol
LogP2.75
Rot. Bonds6

About prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate

prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate (PubChem CID 15238297) has the molecular formula C23H29NO6Si and a molecular weight of 443.57 g/mol. Its IUPAC name is prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate
PubChem CID15238297
Molecular FormulaC23H29NO6Si
Molecular Weight443.57 g/mol
Exact Mass443.18
IUPAC Nameprop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate
SMILESC=CCOC(=O)C(=O)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1[C@H]1CCc2ccccc2C1=O
InChIInChI=1S/C23H29NO6Si/c1-6-13-29-23(28)22(27)24-19(18(21(24)26)14(2)30-31(3,4)5)17-12-11-15-9-7-8-10-16(15)20(17)25/h6-10,14,17-19H,1,11-13H2,2-5H3/t14-,17-,18-,19-/m1/s1
InChIKeyOZNUBVSBFCBHSF-UTRMSSBJSA-N
XLogP2.75
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-5-fluoro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl]-2-oxoacetic acid
CID 67807598
2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-7-fluoro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl]-2-oxoacetic acid
CID 67808088
[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-5-fluoro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl] 2-oxoacetate
CID 88435988
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-5-fluoro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl]-2-oxoacetate
CID 139612988
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-7-fluoro-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl]-2-oxoacetate
CID 139612999
prop-2-enyl (10R,11R,12S)-13-oxo-12-[(1R)-1-trimethylsilyloxyethyl]-14-azatetracyclo[8.5.0.02,7.011,14]pentadeca-1(15),2,4,6-tetraene-15-carboxylate
CID 15238334
[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2R)-5,7-dimethyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-4-oxoazetidin-1-yl] 2-oxopent-4-enoate
CID 57144789
[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]azetidin-1-yl] 2-oxopent-4-enoate
CID 57157935
[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]azetidin-1-yl] 2-oxopent-4-enoate
CID 57242816
methyl (7R)-7-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-(2-oxopent-4-enoyloxy)azetidin-2-yl]-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 57291041
[(3S,4R)-3-[(1R)-1-acetyloxyethyl]-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]azetidin-1-yl] 2-oxopent-4-enoate
CID 57296132
prop-2-enyl 2-[(2R,3S)-2-[2-(3-methylphenyl)-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 58844209

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate?
The IUPAC name of prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate (CID 15238297) is prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate.
What is the SMILES notation for prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate?
The canonical SMILES for prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate is C=CCOC(=O)C(=O)N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1[C@H]1CCc2ccccc2C1=O.
What is the InChIKey of prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate?
The InChIKey is OZNUBVSBFCBHSF-UTRMSSBJSA-N. The full InChI is InChI=1S/C23H29NO6Si/c1-6-13-29-23(28)22(27)24-19(18(21(24)26)14(2)30-31(3,4)5)17-12-11-15-9-7-8-10-16(15)20(17)25/h6-10,14,17-19H,1,11-13H2,2-5H3/t14-,17-,18-,19-/m1/s1.
What are the key properties of prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate?
prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate has a molecular weight of 443.57 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-oxo-2-[(3S,4R)-2-oxo-4-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetate is sourced from PubChem (CID 15238297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).