tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C24H34N2O8 — CID 101152134

IUPACtert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@](O)([C@H](O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C24H34N2O8/c1-21(2,3)33-19(29)25-15-12-10-9-11-14(15)24(31,18(25)28)17(27)16-13-32-23(7,8)26(16)20(30)34-22(4,5)6/h9-12,16-17,27,31H,13H2,1-8H3/t16-,17-,24-/m1/s1
InChIKeyHZPGUJQJTCAPIC-HOZJOUCCSA-N
MW478.54 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101152134) has the molecular formula C24H34N2O8 and a molecular weight of 478.54 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101152134
Molecular FormulaC24H34N2O8
Molecular Weight478.54 g/mol
Exact Mass478.23
IUPAC Nametert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@](O)([C@H](O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C24H34N2O8/c1-21(2,3)33-19(29)25-15-12-10-9-11-14(15)24(31,18(25)28)17(27)16-13-32-23(7,8)26(16)20(30)34-22(4,5)6/h9-12,16-17,27,31H,13H2,1-8H3/t16-,17-,24-/m1/s1
InChIKeyHZPGUJQJTCAPIC-HOZJOUCCSA-N
XLogP2.89
TPSA125.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-4-[(S)-(1,2,3,4,5,6-13C6)cyclohexatrienyl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169442028
tert-butyl (4S)-4-[3,3-bis(benzylsulfanyl)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102124080
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl (4R)-4-[(S)-hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 167435608
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 155142412
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-2-oxo-1-phenylmethoxyethyl]-1,3-oxazolidine-3-carboxylate
CID 10450484
tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
tert-butyl (4S)-4-[(S)-hydroxy-[(4S)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139037432
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101152134) is tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@](O)([C@H](O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HZPGUJQJTCAPIC-HOZJOUCCSA-N. The full InChI is InChI=1S/C24H34N2O8/c1-21(2,3)33-19(29)25-15-12-10-9-11-14(15)24(31,18(25)28)17(27)16-13-32-23(7,8)26(16)20(30)34-22(4,5)6/h9-12,16-17,27,31H,13H2,1-8H3/t16-,17-,24-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 478.54 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(R)-hydroxy-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101152134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).