tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate

C25H27NO3 — CID 134956352

IUPACtert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate
SMILESCC(C)(C)OC(=O)[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)c1cccnc1
InChIInChI=1S/C25H27NO3/c1-24(2,3)29-23(27)25(28,21-14-8-5-9-15-21)22(20-13-10-16-26-18-20)17-19-11-6-4-7-12-19/h4-16,18,22,28H,17H2,1-3H3/t22-,25-/m0/s1
InChIKeyGXRVICYMGFWELH-DHLKQENFSA-N
MW389.50 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate

tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate (PubChem CID 134956352) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate
PubChem CID134956352
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Nametert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate
SMILESCC(C)(C)OC(=O)[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)c1cccnc1
InChIInChI=1S/C25H27NO3/c1-24(2,3)29-23(27)25(28,21-14-8-5-9-15-21)22(20-13-10-16-26-18-20)17-19-11-6-4-7-12-19/h4-16,18,22,28H,17H2,1-3H3/t22-,25-/m0/s1
InChIKeyGXRVICYMGFWELH-DHLKQENFSA-N
XLogP4.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate?
The IUPAC name of tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate (CID 134956352) is tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate.
What is the SMILES notation for tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate?
The canonical SMILES for tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate is CC(C)(C)OC(=O)[C@](O)(c1ccccc1)[C@@H](Cc1ccccc1)c1cccnc1.
What is the InChIKey of tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate?
The InChIKey is GXRVICYMGFWELH-DHLKQENFSA-N. The full InChI is InChI=1S/C25H27NO3/c1-24(2,3)29-23(27)25(28,21-14-8-5-9-15-21)22(20-13-10-16-26-18-20)17-19-11-6-4-7-12-19/h4-16,18,22,28H,17H2,1-3H3/t22-,25-/m0/s1.
What are the key properties of tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate?
tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate has a molecular weight of 389.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-hydroxy-2,4-diphenyl-3-pyridin-3-ylbutanoate is sourced from PubChem (CID 134956352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).