tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate

C30H46N2O6Si — CID 10554862

IUPACtert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H46N2O6Si/c1-28(2,3)37-26(34)31-18-21(23-14-12-13-15-24(23)31)16-20-17-22(19-36-39(10,11)30(7,8)9)32(25(20)33)27(35)38-29(4,5)6/h12-15,18,20,22H,16-17,19H2,1-11H3/t20-,22+/m1/s1
InChIKeyMIWDDOITCRMADY-IRLDBZIGSA-N
MW558.79 g/mol
LogP7.14
Rot. Bonds5

About tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate

tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate (PubChem CID 10554862) has the molecular formula C30H46N2O6Si and a molecular weight of 558.79 g/mol. Its IUPAC name is tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate
PubChem CID10554862
Molecular FormulaC30H46N2O6Si
Molecular Weight558.79 g/mol
Exact Mass558.31
IUPAC Nametert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H46N2O6Si/c1-28(2,3)37-26(34)31-18-21(23-14-12-13-15-24(23)31)16-20-17-22(19-36-39(10,11)30(7,8)9)32(25(20)33)27(35)38-29(4,5)6/h12-15,18,20,22H,16-17,19H2,1-11H3/t20-,22+/m1/s1
InChIKeyMIWDDOITCRMADY-IRLDBZIGSA-N
XLogP7.14
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.79
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl (4S)-2,2-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 97135096
tert-butyl (3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-(trimethylstannylmethyl)pyrrolidine-1-carboxylate
CID 11061202
tert-butyl (3S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-3-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxylate
CID 10839455
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl-[[(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]tin
CID 141457227
tert-butyl 3-[[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]methyl]indole-1-carboxylate
CID 71299397
tert-butyl 3-[(R)-amino-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]methyl]indole-1-carboxylate
CID 25257959
tert-butyl 3-[(2S)-3-amino-2-methyl-3-oxopropyl]indole-1-carboxylate
CID 134493069
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethyl]indole-1-carboxylate
CID 171397275
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-4-oxoazetidine-1-carboxylate
CID 11421732
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate (CID 10554862) is tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate?
The InChIKey is MIWDDOITCRMADY-IRLDBZIGSA-N. The full InChI is InChI=1S/C30H46N2O6Si/c1-28(2,3)37-26(34)31-18-21(23-14-12-13-15-24(23)31)16-20-17-22(19-36-39(10,11)30(7,8)9)32(25(20)33)27(35)38-29(4,5)6/h12-15,18,20,22H,16-17,19H2,1-11H3/t20-,22+/m1/s1.
What are the key properties of tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate?
tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate has a molecular weight of 558.79 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]indole-1-carboxylate is sourced from PubChem (CID 10554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).