(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid

C22H27NO3Si — CID 102031533

IUPAC(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1C=CCN[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(17-11-6-4-7-12-17,18-13-8-5-9-14-18)26-19-15-10-16-23-20(19)21(24)25/h4-15,19-20,23H,16H2,1-3H3,(H,24,25)/t19-,20-/m0/s1
InChIKeyXBCBUZONZGMYCI-PMACEKPBSA-N
MW381.55 g/mol
LogP2.54
Rot. Bonds5

About (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid

(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid (PubChem CID 102031533) has the molecular formula C22H27NO3Si and a molecular weight of 381.55 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
PubChem CID102031533
Molecular FormulaC22H27NO3Si
Molecular Weight381.55 g/mol
Exact Mass381.18
IUPAC Name(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1C=CCN[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO3Si/c1-22(2,3)27(17-11-6-4-7-12-17,18-13-8-5-9-14-18)26-19-15-10-16-23-20(19)21(24)25/h4-15,19-20,23H,16H2,1-3H3,(H,24,25)/t19-,20-/m0/s1
InChIKeyXBCBUZONZGMYCI-PMACEKPBSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 71317354
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11351099
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid (CID 102031533) is (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid is CC(C)(C)[Si](O[C@H]1C=CCN[C@@H]1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The InChIKey is XBCBUZONZGMYCI-PMACEKPBSA-N. The full InChI is InChI=1S/C22H27NO3Si/c1-22(2,3)27(17-11-6-4-7-12-17,18-13-8-5-9-14-18)26-19-15-10-16-23-20(19)21(24)25/h4-15,19-20,23H,16H2,1-3H3,(H,24,25)/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid?
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid has a molecular weight of 381.55 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid is sourced from PubChem (CID 102031533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).