methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate

C14H25NO3Si — CID 11822148

IUPACmethyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
SMILESCOC(=O)N1[C@H]2CCC[C@@H]1C1C[C@@]1(O[Si](C)(C)C)C2
InChIInChI=1S/C14H25NO3Si/c1-17-13(16)15-10-6-5-7-12(15)11-9-14(11,8-10)18-19(2,3)4/h10-12H,5-9H2,1-4H3/t10-,11?,12+,14-/m0/s1
InChIKeyWNRDSZBUSNGMFV-LNJHAREASA-N
MW283.44 g/mol
LogP2.99
Rot. Bonds2

About methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate

methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate (PubChem CID 11822148) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate.

Molecular Properties

Compound Namemethyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
PubChem CID11822148
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Namemethyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
SMILESCOC(=O)N1[C@H]2CCC[C@@H]1C1C[C@@]1(O[Si](C)(C)C)C2
InChIInChI=1S/C14H25NO3Si/c1-17-13(16)15-10-6-5-7-12(15)11-9-14(11,8-10)18-19(2,3)4/h10-12H,5-9H2,1-4H3/t10-,11?,12+,14-/m0/s1
InChIKeyWNRDSZBUSNGMFV-LNJHAREASA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate with MolForge

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Related Compounds

methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 10825871
methyl (6S,7R)-2-oxo-7-trimethylsilyloxybicyclo[4.2.0]octane-7-carboxylate
CID 134974003
methyl (1aR,2aR,6aS,7aR)-2a,6a-dibromo-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]azirine-1-carboxylate
CID 98162950
methyl (1R,2R,5S)-2-hydroxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 10821848
methyl 2-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 175911487
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
methyl (2R,3S,3aR,6aR)-3-methyl-2-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 174100550
tert-butyl 3-hydroxy-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137333297
methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 21188394
methyl 3-(3-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 123958944
tert-butyl (1S,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 124544654

Frequently Asked Questions

What is the IUPAC name of methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate?
The IUPAC name of methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate (CID 11822148) is methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate.
What is the SMILES notation for methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate?
The canonical SMILES for methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate is COC(=O)N1[C@H]2CCC[C@@H]1C1C[C@@]1(O[Si](C)(C)C)C2.
What is the InChIKey of methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate?
The InChIKey is WNRDSZBUSNGMFV-LNJHAREASA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-17-13(16)15-10-6-5-7-12(15)11-9-14(11,8-10)18-19(2,3)4/h10-12H,5-9H2,1-4H3/t10-,11?,12+,14-/m0/s1.
What are the key properties of methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate?
methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate has a molecular weight of 283.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate is sourced from PubChem (CID 11822148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).