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

C22H30N2O6 — CID 118193058

IUPACtert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)N1C(=O)OCC1c1ccccc1)[C@@H](O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O6/c1-14(18(25)16-11-8-12-23(16)20(27)30-22(2,3)4)19(26)24-17(13-29-21(24)28)15-9-6-5-7-10-15/h5-7,9-10,14,16-18,25H,8,11-13H2,1-4H3/t14-,16?,17?,18-/m1/s1
InChIKeyNHAYXGBIBNTJTM-AGERRDQYSA-N
MW418.49 g/mol
LogP3.10
Rot. Bonds4

About 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

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 (PubChem CID 118193058) has the molecular formula C22H30N2O6 and a molecular weight of 418.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
PubChem CID118193058
Molecular FormulaC22H30N2O6
Molecular Weight418.49 g/mol
Exact Mass418.21
IUPAC Nametert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](C(=O)N1C(=O)OCC1c1ccccc1)[C@@H](O)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O6/c1-14(18(25)16-11-8-12-23(16)20(27)30-22(2,3)4)19(26)24-17(13-29-21(24)28)15-9-6-5-7-10-15/h5-7,9-10,14,16-18,25H,8,11-13H2,1-4H3/t14-,16?,17?,18-/m1/s1
InChIKeyNHAYXGBIBNTJTM-AGERRDQYSA-N
XLogP3.10
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

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-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 130377218
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 (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
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 144592023
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one;methanol
CID 144592022
tert-butyl 4,5-dimethyl-3-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)hexanoate
CID 21358821
tert-butyl 2-[(1S)-2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-(4-chlorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 66845409
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
tert-butyl 2-(1-anilinoethyl)pyrrolidine-1-carboxylate
CID 102537736
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](C(=O)N1C(=O)OCC1c1ccccc1)[C@@H](O)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 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?
The InChIKey is NHAYXGBIBNTJTM-AGERRDQYSA-N. The full InChI is InChI=1S/C22H30N2O6/c1-14(18(25)16-11-8-12-23(16)20(27)30-22(2,3)4)19(26)24-17(13-29-21(24)28)15-9-6-5-7-10-15/h5-7,9-10,14,16-18,25H,8,11-13H2,1-4H3/t14-,16?,17?,18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 418.49 g/mol, XLogP of 3.10, 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-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118193058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).