tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate

C24H42N2O8Si — CID 67674080

IUPACtert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate
SMILESCC(C)(C)OC(=O)N[C@@H]1C(=O)N(C(=O)C(=O)OC(C)(C)C)[C@@H]1CCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42N2O8Si/c1-22(2,3)33-20(30)19(29)26-16(17(18(26)28)25-21(31)34-23(4,5)6)13-12-15(27)14-32-35(10,11)24(7,8)9/h16-17H,12-14H2,1-11H3,(H,25,31)/t16-,17+/m1/s1
InChIKeyJVYOFHRIEIBARB-SJORKVTESA-N
MW514.69 g/mol
LogP3.33
Rot. Bonds7

About tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate

tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate (PubChem CID 67674080) has the molecular formula C24H42N2O8Si and a molecular weight of 514.69 g/mol. Its IUPAC name is tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate
PubChem CID67674080
Molecular FormulaC24H42N2O8Si
Molecular Weight514.69 g/mol
Exact Mass514.27
IUPAC Nametert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate
SMILESCC(C)(C)OC(=O)N[C@@H]1C(=O)N(C(=O)C(=O)OC(C)(C)C)[C@@H]1CCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42N2O8Si/c1-22(2,3)33-20(30)19(29)26-16(17(18(26)28)25-21(31)34-23(4,5)6)13-12-15(27)14-32-35(10,11)24(7,8)9/h16-17H,12-14H2,1-11H3,(H,25,31)/t16-,17+/m1/s1
InChIKeyJVYOFHRIEIBARB-SJORKVTESA-N
XLogP3.33
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.69
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R,3S)-2-ethyl-1-formyl-4-oxoazetidin-3-yl]carbamate
CID 131076113
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-(pyridin-1-ium-1-ylmethyl)azetidine-1-sulfonate
CID 70343880
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamate
CID 67557654
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 53253789
tert-butyl N-[(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl]carbamate
CID 10936954
2-[(2S,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]oxyacetic acid
CID 18640037
tert-butyl (1S,2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 101491824
tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910
tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
CID 14329172
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
CID 58901310
tert-butyl N-[(1R,6R,8aS)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate
CID 99864417
tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
CID 10715774

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate?
The IUPAC name of tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate (CID 67674080) is tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate.
What is the SMILES notation for tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate?
The canonical SMILES for tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate is CC(C)(C)OC(=O)N[C@@H]1C(=O)N(C(=O)C(=O)OC(C)(C)C)[C@@H]1CCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate?
The InChIKey is JVYOFHRIEIBARB-SJORKVTESA-N. The full InChI is InChI=1S/C24H42N2O8Si/c1-22(2,3)33-20(30)19(29)26-16(17(18(26)28)25-21(31)34-23(4,5)6)13-12-15(27)14-32-35(10,11)24(7,8)9/h16-17H,12-14H2,1-11H3,(H,25,31)/t16-,17+/m1/s1.
What are the key properties of tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate?
tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate has a molecular weight of 514.69 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R,3S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 67674080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).