tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate

C23H32N2O6 — CID 130377218

IUPACtert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)[C@@H](O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H32N2O6/c1-14(18(26)17-12-9-13-24(17)21(28)31-23(3,4)5)20(27)25-15(2)19(30-22(25)29)16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19,26H,9,12-13H2,1-5H3/t14-,15-,17?,18-,19-/m1/s1
InChIKeyFADHZFDKNRVYGL-AUVSIERWSA-N
MW432.52 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 130377218) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID130377218
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Nametert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)[C@@H](O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H32N2O6/c1-14(18(26)17-12-9-13-24(17)21(28)31-23(3,4)5)20(27)25-15(2)19(30-22(25)29)16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19,26H,9,12-13H2,1-5H3/t14-,15-,17?,18-,19-/m1/s1
InChIKeyFADHZFDKNRVYGL-AUVSIERWSA-N
XLogP3.49
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[1-hydroxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 85314624
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
CID 118193058
3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 145135094
tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate
CID 163522562
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 142237593
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
tert-butyl 2-(1-anilinoethyl)pyrrolidine-1-carboxylate
CID 102537736
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
(2R,3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-2-carboxylic acid
CID 66523283
tert-butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate;tert-butyl (2R,3S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 167995330
benzyl (2S)-2-[(1S)-1-azido-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 101041602

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate (CID 130377218) is tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)[C@@H](O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?
The InChIKey is FADHZFDKNRVYGL-AUVSIERWSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-14(18(26)17-12-9-13-24(17)21(28)31-23(3,4)5)20(27)25-15(2)19(30-22(25)29)16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19,26H,9,12-13H2,1-5H3/t14-,15-,17?,18-,19-/m1/s1.
What are the key properties of tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 130377218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).