tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate

C27H54N2O6Si — CID 171762461

IUPACtert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[Si](OC(CNC(=O)OC(C)(C)C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54N2O6Si/c1-18(2)36(19(3)4,20(5)6)35-22(16-28-23(30)33-25(7,8)9)15-21-17-32-27(13,14)29(21)24(31)34-26(10,11)12/h18-22H,15-17H2,1-14H3,(H,28,30)/t21-,22?/m0/s1
InChIKeyHFCLFOJTVVJYLW-HMTLIYDFSA-N
MW530.82 g/mol
LogP6.83
Rot. Bonds9

About tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 171762461) has the molecular formula C27H54N2O6Si and a molecular weight of 530.82 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate
PubChem CID171762461
Molecular FormulaC27H54N2O6Si
Molecular Weight530.82 g/mol
Exact Mass530.38
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[Si](OC(CNC(=O)OC(C)(C)C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54N2O6Si/c1-18(2)36(19(3)4,20(5)6)35-22(16-28-23(30)33-25(7,8)9)15-21-17-32-27(13,14)29(21)24(31)34-26(10,11)12/h18-22H,15-17H2,1-14H3,(H,28,30)/t21-,22?/m0/s1
InChIKeyHFCLFOJTVVJYLW-HMTLIYDFSA-N
XLogP6.83
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.82
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-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 tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate (CID 171762461) is tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate is CC(C)[Si](OC(CNC(=O)OC(C)(C)C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is HFCLFOJTVVJYLW-HMTLIYDFSA-N. The full InChI is InChI=1S/C27H54N2O6Si/c1-18(2)36(19(3)4,20(5)6)35-22(16-28-23(30)33-25(7,8)9)15-21-17-32-27(13,14)29(21)24(31)34-26(10,11)12/h18-22H,15-17H2,1-14H3,(H,28,30)/t21-,22?/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 530.82 g/mol, XLogP of 6.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxypropyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 171762461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).