tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C22H41NO6Si — CID 18654187

IUPACtert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-15(13-27-22(23,7)8)16-14(17(16)18(24)26-9)12-28-30(10,11)21(4,5)6/h14-17H,12-13H2,1-11H3/t14-,15-,16-,17-/m1/s1
InChIKeyHZWLCGCEJXCBLF-QBPKDAKJSA-N
MW443.66 g/mol
LogP4.42
Rot. Bonds5

About tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 18654187) has the molecular formula C22H41NO6Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID18654187
Molecular FormulaC22H41NO6Si
Molecular Weight443.66 g/mol
Exact Mass443.27
IUPAC Nametert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-15(13-27-22(23,7)8)16-14(17(16)18(24)26-9)12-28-30(10,11)21(4,5)6/h14-17H,12-13H2,1-11H3/t14-,15-,16-,17-/m1/s1
InChIKeyHZWLCGCEJXCBLF-QBPKDAKJSA-N
XLogP4.42
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1-fluorobutyl) (2R,4R,5R)-4-[[1-fluorobutyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
CID 88072189
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 11237354
ditert-butyl (2R,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-formylpyrrolidine-1,2-dicarboxylate
CID 11339731
tert-butyl (4S)-2,2-dimethyl-4-[(1S,5R,6S)-2-oxo-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3-oxazolidine-3-carboxylate
CID 18654181
tert-butyl (4S)-4-[(1S,2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 18654186
methyl (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate
CID 18654190
Tert-butyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 19011045
Ditert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 53644922
trans-methyl (1R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate
CID 57062161
methyl (1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylate
CID 57084528
ditert-butyl (4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methylbutanoyl)pyrrolidine-1,2-dicarboxylate
CID 57216069
tert-butyl 2,2-dimethyl-4-[(1S,5S,6S)-2-oxo-3-oxabicyclo[3.1.0]hexan-6-yl]-1,3-oxazolidine-3-carboxylate
CID 67766684

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 18654187) is tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HZWLCGCEJXCBLF-QBPKDAKJSA-N. The full InChI is InChI=1S/C22H41NO6Si/c1-20(2,3)29-19(25)23-15(13-27-22(23,7)8)16-14(17(16)18(24)26-9)12-28-30(10,11)21(4,5)6/h14-17H,12-13H2,1-11H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 443.66 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxycarbonylcyclopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 18654187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).