benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate

C29H38N2O6 — CID 142237593

About benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate

benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 142237593) has the molecular formula C29H38N2O6 and a molecular weight of 510.63 g/mol. Its IUPAC name is benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
• PubChem CID: 142237593
• Molecular Formula: C29H38N2O6
• Molecular Weight: 510.63 g/mol
• Exact Mass: 510.27
• IUPAC Name: benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
• SMILES: C[C@@H]1CN(C(=O)C(Cc2ccccc2)C(O)C2CCCN2C(=O)OC(C)(C)C)C(=O)O1.c1ccccc1
• InChI: InChI=1S/C23H32N2O6.C6H6/c1-15-14-25(21(28)30-15)20(27)17(13-16-9-6-5-7-10-16)19(26)18-11-8-12-24(18)22(29)31-23(2,3)4;1-2-4-6-5-3-1/h5-7,9-10,15,17-19,26H,8,11-14H2,1-4H3;1-6H/t15-,17?,18?,19?;/m1./s1
• InChIKey: HZHDEPXWSNEPOR-VXWDSASYSA-N
• XLogP: 4.66
• TPSA: 96.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.63
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?

The IUPAC name of 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) is benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?

The canonical SMILES for benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate is C[C@@H]1CN(C(=O)C(Cc2ccccc2)C(O)C2CCCN2C(=O)OC(C)(C)C)C(=O)O1.c1ccccc1.

What is the InChIKey of benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?

The InChIKey is HZHDEPXWSNEPOR-VXWDSASYSA-N. The full InChI is InChI=1S/C23H32N2O6.C6H6/c1-15-14-25(21(28)30-15)20(27)17(13-16-9-6-5-7-10-16)19(26)18-11-8-12-24(18)22(29)31-23(2,3)4;1-2-4-6-5-3-1/h5-7,9-10,15,17-19,26H,8,11-14H2,1-4H3;1-6H/t15-,17?,18?,19?;/m1./s1.

What are the key properties of benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate?

benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 510.63 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;tert-butyl 2-[2-benzyl-1-hydroxy-3-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 142237593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).