benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

C30H40N2O7Si — CID 135013562

IUPACbenzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@]1([C@@H](OC(=O)c2ccccc2)[C@@H]2COC(=O)N2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C30H40N2O7Si/c1-29(2,3)40(4,5)38-21-30(17-12-18-32(30)28(35)37-19-22-13-8-6-9-14-22)25(24-20-36-27(34)31-24)39-26(33)23-15-10-7-11-16-23/h6-11,13-16,24-25H,12,17-21H2,1-5H3,(H,31,34)/t24-,25-,30-/m0/s1
InChIKeyYOOUSRHDEWIVTA-QRQMUESOSA-N
MW568.74 g/mol
LogP5.51
Rot. Bonds9

About benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 135013562) has the molecular formula C30H40N2O7Si and a molecular weight of 568.74 g/mol. Its IUPAC name is benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID135013562
Molecular FormulaC30H40N2O7Si
Molecular Weight568.74 g/mol
Exact Mass568.26
IUPAC Namebenzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@]1([C@@H](OC(=O)c2ccccc2)[C@@H]2COC(=O)N2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C30H40N2O7Si/c1-29(2,3)40(4,5)38-21-30(17-12-18-32(30)28(35)37-19-22-13-8-6-9-14-22)25(24-20-36-27(34)31-24)39-26(33)23-15-10-7-11-16-23/h6-11,13-16,24-25H,12,17-21H2,1-5H3,(H,31,34)/t24-,25-,30-/m0/s1
InChIKeyYOOUSRHDEWIVTA-QRQMUESOSA-N
XLogP5.51
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.74
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (CID 135013562) is benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is CC(C)(C)[Si](C)(C)OC[C@]1([C@@H](OC(=O)c2ccccc2)[C@@H]2COC(=O)N2)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is YOOUSRHDEWIVTA-QRQMUESOSA-N. The full InChI is InChI=1S/C30H40N2O7Si/c1-29(2,3)40(4,5)38-21-30(17-12-18-32(30)28(35)37-19-22-13-8-6-9-14-22)25(24-20-36-27(34)31-24)39-26(33)23-15-10-7-11-16-23/h6-11,13-16,24-25H,12,17-21H2,1-5H3,(H,31,34)/t24-,25-,30-/m0/s1.
What are the key properties of benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 568.74 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(S)-benzoyloxy-[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 135013562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).