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

C27H39NO5Si — CID 90141054

IUPAC(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C27H39NO5Si/c1-26(2,3)33-25(31)28(7)23(24(29)30)19-14-20-32-34(27(4,5)6,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18,23H,14,19-20H2,1-7H3,(H,29,30)/t23-/m1/s1
InChIKeyBJFNJZTWNPNYIS-HSZRJFAPSA-N
MW485.70 g/mol
LogP4.66
Rot. Bonds9

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

(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 90141054) has the molecular formula C27H39NO5Si and a molecular weight of 485.70 g/mol. Its IUPAC name is (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID90141054
Molecular FormulaC27H39NO5Si
Molecular Weight485.70 g/mol
Exact Mass485.26
IUPAC Name(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C27H39NO5Si/c1-26(2,3)33-25(31)28(7)23(24(29)30)19-14-20-32-34(27(4,5)6,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18,23H,14,19-20H2,1-7H3,(H,29,30)/t23-/m1/s1
InChIKeyBJFNJZTWNPNYIS-HSZRJFAPSA-N
XLogP4.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.70
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 90141054) is (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CN(C(=O)OC(C)(C)C)[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is BJFNJZTWNPNYIS-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H39NO5Si/c1-26(2,3)33-25(31)28(7)23(24(29)30)19-14-20-32-34(27(4,5)6,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18,23H,14,19-20H2,1-7H3,(H,29,30)/t23-/m1/s1.
What are the key properties of (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
(2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 485.70 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 90141054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).