tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate

C27H41NO6Si — CID 173412851

IUPACtert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate
SMILESC[SiH](C)OC[C@H]([C@@H]1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]1[C@H](C=C=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C27H41NO6Si/c1-26(2,3)20(18-33-35(7)8)23-24(28(25(23)31)16-22(30)34-27(4,5)6)21(14-15-29)32-17-19-12-10-9-11-13-19/h9-14,20-21,23-24,35H,16-18H2,1-8H3/t20-,21+,23+,24-/m1/s1
InChIKeyGHXZWXSWZKAWGQ-AWAHEQQVSA-N
MW503.71 g/mol
LogP3.79
Rot. Bonds11

About tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate

tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate (PubChem CID 173412851) has the molecular formula C27H41NO6Si and a molecular weight of 503.71 g/mol. Its IUPAC name is tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate
PubChem CID173412851
Molecular FormulaC27H41NO6Si
Molecular Weight503.71 g/mol
Exact Mass503.27
IUPAC Nametert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate
SMILESC[SiH](C)OC[C@H]([C@@H]1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]1[C@H](C=C=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C27H41NO6Si/c1-26(2,3)20(18-33-35(7)8)23-24(28(25(23)31)16-22(30)34-27(4,5)6)21(14-15-29)32-17-19-12-10-9-11-13-19/h9-14,20-21,23-24,35H,16-18H2,1-8H3/t20-,21+,23+,24-/m1/s1
InChIKeyGHXZWXSWZKAWGQ-AWAHEQQVSA-N
XLogP3.79
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 2-[(2S,3S)-2-[(2R)-1-hydroxypropan-2-yl]-4-oxo-3-[(1R)-1-phenylmethoxycarbonyloxyethyl]azetidin-1-yl]acetate
CID 139757968
tert-butyl 2-[(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[(1R)-3-oxo-1-phenylsulfanylpropyl]azetidin-1-yl]acetate
CID 88680028
(1S,4R,5R)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-oxo-4-(2-oxo-2-phenylmethoxyethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylic acid
CID 67770108
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
ethyl (2R)-2-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate
CID 67868960
(2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]-2-phenylpropanethioic S-acid
CID 88602643
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyl-4-oxoazetidin-1-yl]acetate
CID 101370654
benzyl 4-[(8S)-8-ethoxy-8-[[(3R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-1-oxooct-1-en-2-yl]piperidine-1-carboxylate
CID 88706944
[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
CID 142213101
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
tert-butyl (5S)-3-oxo-5,6-bis(phenylmethoxy)hexanoate
CID 21040751
benzyl 2-(2-methoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxo-2H-pyrazine-1-carboxylate
CID 22013809

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate (CID 173412851) is tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate is C[SiH](C)OC[C@H]([C@@H]1C(=O)N(CC(=O)OC(C)(C)C)[C@@H]1[C@H](C=C=O)OCc1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate?
The InChIKey is GHXZWXSWZKAWGQ-AWAHEQQVSA-N. The full InChI is InChI=1S/C27H41NO6Si/c1-26(2,3)20(18-33-35(7)8)23-24(28(25(23)31)16-22(30)34-27(4,5)6)21(14-15-29)32-17-19-12-10-9-11-13-19/h9-14,20-21,23-24,35H,16-18H2,1-8H3/t20-,21+,23+,24-/m1/s1.
What are the key properties of tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate?
tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate has a molecular weight of 503.71 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3S,4S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-2-oxo-4-[(1S)-3-oxo-1-phenylmethoxyprop-2-enyl]azetidin-1-yl]acetate is sourced from PubChem (CID 173412851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).