tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate

C24H32N2O8 — CID 118192982

IUPACtert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
SMILESCO[C@H]([C@@H](C)C(=O)N1C(=O)OCC1c1ccccc1)[C@@H]1C[C@H](OC=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O8/c1-15(21(28)26-19(13-32-23(26)30)16-9-7-6-8-10-16)20(31-5)18-11-17(33-14-27)12-25(18)22(29)34-24(2,3)4/h6-10,14-15,17-20H,11-13H2,1-5H3/t15-,17+,18+,19?,20-/m1/s1
InChIKeyGZQOGDWLEQGDBY-PSASBUCGSA-N
MW476.53 g/mol
LogP2.91
Rot. Bonds7

About tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate (PubChem CID 118192982) has the molecular formula C24H32N2O8 and a molecular weight of 476.53 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
PubChem CID118192982
Molecular FormulaC24H32N2O8
Molecular Weight476.53 g/mol
Exact Mass476.22
IUPAC Nametert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
SMILESCO[C@H]([C@@H](C)C(=O)N1C(=O)OCC1c1ccccc1)[C@@H]1C[C@H](OC=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O8/c1-15(21(28)26-19(13-32-23(26)30)16-9-7-6-8-10-16)20(31-5)18-11-17(33-14-27)12-25(18)22(29)34-24(2,3)4/h6-10,14-15,17-20H,11-13H2,1-5H3/t15-,17+,18+,19?,20-/m1/s1
InChIKeyGZQOGDWLEQGDBY-PSASBUCGSA-N
XLogP2.91
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate
CID 118192848
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
tert-butyl (2S,4R)-4-methoxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(phenacylamino)propyl]pyrrolidine-1-carboxylate
CID 90091263
tert-butyl 4,5-dimethyl-3-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)hexanoate
CID 21358821
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(2R,3R)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 90091054
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
[13-hydroxy-2-methyl-1,4,7-trioxo-1-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)tridec-5-en-3-yl] acetate
CID 5084855
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815845
tert-butyl (2R,4R)-2-[(1S,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-[(3,5-difluorophenyl)methyl]-1-hydroxy-3-oxopropyl]-4-prop-2-enoxypyrrolidine-1-carboxylate
CID 67316359

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate (CID 118192982) is tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate is CO[C@H]([C@@H](C)C(=O)N1C(=O)OCC1c1ccccc1)[C@@H]1C[C@H](OC=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate?
The InChIKey is GZQOGDWLEQGDBY-PSASBUCGSA-N. The full InChI is InChI=1S/C24H32N2O8/c1-15(21(28)26-19(13-32-23(26)30)16-9-7-6-8-10-16)20(31-5)18-11-17(33-14-27)12-25(18)22(29)34-24(2,3)4/h6-10,14-15,17-20H,11-13H2,1-5H3/t15-,17+,18+,19?,20-/m1/s1.
What are the key properties of tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118192982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).