tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate

C23H37NO2Si — CID 10385570

IUPACtri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCC(C)[Si](OC(=O)[C@@H]1[C@H](C)C=CCN1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C23H37NO2Si/c1-17(2)27(18(3)4,19(5)6)26-23(25)22-20(7)12-11-15-24(22)16-21-13-9-8-10-14-21/h8-14,17-20,22H,15-16H2,1-7H3/t20-,22+/m1/s1
InChIKeyOOVYFMWPZYHWCI-IRLDBZIGSA-N
MW387.64 g/mol
LogP5.78
Rot. Bonds7

About tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate

tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate (PubChem CID 10385570) has the molecular formula C23H37NO2Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
PubChem CID10385570
Molecular FormulaC23H37NO2Si
Molecular Weight387.64 g/mol
Exact Mass387.26
IUPAC Nametri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCC(C)[Si](OC(=O)[C@@H]1[C@H](C)C=CCN1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C23H37NO2Si/c1-17(2)27(18(3)4,19(5)6)26-23(25)22-20(7)12-11-15-24(22)16-21-13-9-8-10-14-21/h8-14,17-20,22H,15-16H2,1-7H3/t20-,22+/m1/s1
InChIKeyOOVYFMWPZYHWCI-IRLDBZIGSA-N
XLogP5.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.64
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate with MolForge

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Related Compounds

1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
(2S,3S,4S)-1-benzyl-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11658718
methyl (1S,3S,4R)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 101411862
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
The IUPAC name of tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate (CID 10385570) is tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate.
What is the SMILES notation for tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
The canonical SMILES for tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate is CC(C)[Si](OC(=O)[C@@H]1[C@H](C)C=CCN1Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
The InChIKey is OOVYFMWPZYHWCI-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H37NO2Si/c1-17(2)27(18(3)4,19(5)6)26-23(25)22-20(7)12-11-15-24(22)16-21-13-9-8-10-14-21/h8-14,17-20,22H,15-16H2,1-7H3/t20-,22+/m1/s1.
What are the key properties of tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate?
tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate has a molecular weight of 387.64 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate is sourced from PubChem (CID 10385570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).