methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate

C30H43NO6Si — CID 23727391

IUPACmethyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@@]1(C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC(=O)OC(C)(C)C)CCCO1
InChIInChI=1S/C30H43NO6Si/c1-28(2,3)37-27(33)31-23(21-30(26(32)34-7)19-14-20-35-30)22-36-38(29(4,5)6,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h8-13,15-18,23H,14,19-22H2,1-7H3,(H,31,33)/t23-,30-/m0/s1
InChIKeyVIDXLQHSMAFMEP-JHOBJCJYSA-N
MW541.76 g/mol
LogP4.57
Rot. Bonds9

About methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate

methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate (PubChem CID 23727391) has the molecular formula C30H43NO6Si and a molecular weight of 541.76 g/mol. Its IUPAC name is methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate
PubChem CID23727391
Molecular FormulaC30H43NO6Si
Molecular Weight541.76 g/mol
Exact Mass541.29
IUPAC Namemethyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@@]1(C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC(=O)OC(C)(C)C)CCCO1
InChIInChI=1S/C30H43NO6Si/c1-28(2,3)37-27(33)31-23(21-30(26(32)34-7)19-14-20-35-30)22-36-38(29(4,5)6,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h8-13,15-18,23H,14,19-22H2,1-7H3,(H,31,33)/t23-,30-/m0/s1
InChIKeyVIDXLQHSMAFMEP-JHOBJCJYSA-N
XLogP4.57
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.76
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate?
The IUPAC name of methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate (CID 23727391) is methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate is COC(=O)[C@@]1(C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC(=O)OC(C)(C)C)CCCO1.
What is the InChIKey of methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate?
The InChIKey is VIDXLQHSMAFMEP-JHOBJCJYSA-N. The full InChI is InChI=1S/C30H43NO6Si/c1-28(2,3)37-27(33)31-23(21-30(26(32)34-7)19-14-20-35-30)22-36-38(29(4,5)6,24-15-10-8-11-16-24)25-17-12-9-13-18-25/h8-13,15-18,23H,14,19-22H2,1-7H3,(H,31,33)/t23-,30-/m0/s1.
What are the key properties of methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate?
methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate has a molecular weight of 541.76 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]oxolane-2-carboxylate is sourced from PubChem (CID 23727391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).