2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid

C29H57NO6Si — CID 67625962

IUPAC2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid
SMILESCC(C)[Si](OCCC(C)(C)C[C@H]1[C@H](C(C)(C)C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H57NO6Si/c1-19(2)37(20(3)4,21(5)6)34-17-16-27(10,11)18-22-23(28(12,13)24(31)32)35-29(14,15)30(22)25(33)36-26(7,8)9/h19-23H,16-18H2,1-15H3,(H,31,32)/t22-,23+/m0/s1
InChIKeyVNYWPPJSABGPIO-XZOQPEGZSA-N
MW543.86 g/mol
LogP7.84
Rot. Bonds11

About 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid

2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid (PubChem CID 67625962) has the molecular formula C29H57NO6Si and a molecular weight of 543.86 g/mol. Its IUPAC name is 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid
PubChem CID67625962
Molecular FormulaC29H57NO6Si
Molecular Weight543.86 g/mol
Exact Mass543.40
IUPAC Name2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid
SMILESCC(C)[Si](OCCC(C)(C)C[C@H]1[C@H](C(C)(C)C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H57NO6Si/c1-19(2)37(20(3)4,21(5)6)34-17-16-27(10,11)18-22-23(28(12,13)24(31)32)35-29(14,15)30(22)25(33)36-26(7,8)9/h19-23H,16-18H2,1-15H3,(H,31,32)/t22-,23+/m0/s1
InChIKeyVNYWPPJSABGPIO-XZOQPEGZSA-N
XLogP7.84
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.86
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid 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 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid (CID 67625962) is 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid is CC(C)[Si](OCCC(C)(C)C[C@H]1[C@H](C(C)(C)C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid?
The InChIKey is VNYWPPJSABGPIO-XZOQPEGZSA-N. The full InChI is InChI=1S/C29H57NO6Si/c1-19(2)37(20(3)4,21(5)6)34-17-16-27(10,11)18-22-23(28(12,13)24(31)32)35-29(14,15)30(22)25(33)36-26(7,8)9/h19-23H,16-18H2,1-15H3,(H,31,32)/t22-,23+/m0/s1.
What are the key properties of 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid?
2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid has a molecular weight of 543.86 g/mol, XLogP of 7.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 67625962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).