(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

C28H41NO5Si — CID 11386476

IUPAC(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-21(19-24(25(30)31)29(8)26(32)34-27(2,3)4)20-33-35(28(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24H,19-20H2,1-8H3,(H,30,31)/t21-,24+/m1/s1
InChIKeySYRXOOQDHVTWMV-QPPBQGQZSA-N
MW499.72 g/mol
LogP4.91
Rot. Bonds9

About (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 11386476) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID11386476
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Name(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-21(19-24(25(30)31)29(8)26(32)34-27(2,3)4)20-33-35(28(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24H,19-20H2,1-8H3,(H,30,31)/t21-,24+/m1/s1
InChIKeySYRXOOQDHVTWMV-QPPBQGQZSA-N
XLogP4.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 11386476) is (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is SYRXOOQDHVTWMV-QPPBQGQZSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-21(19-24(25(30)31)29(8)26(32)34-27(2,3)4)20-33-35(28(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24H,19-20H2,1-8H3,(H,30,31)/t21-,24+/m1/s1.
What are the key properties of (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 499.72 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 11386476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).