tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate

C20H23NO3 — CID 10711177

IUPACtert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]23C1=CC(=O)c1ccccc13
InChIInChI=1S/C20H23NO3/c1-19(2,3)24-18(23)21-10-6-7-13-12-20(13)15-9-5-4-8-14(15)16(22)11-17(20)21/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3/t13-,20+/m0/s1
InChIKeyFWTJZLUGVUMCMJ-RNODOKPDSA-N
MW325.41 g/mol
LogP4.06
Rot. Bonds

About tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate

tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate (PubChem CID 10711177) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate
PubChem CID10711177
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]23C1=CC(=O)c1ccccc13
InChIInChI=1S/C20H23NO3/c1-19(2,3)24-18(23)21-10-6-7-13-12-20(13)15-9-5-4-8-14(15)16(22)11-17(20)21/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3/t13-,20+/m0/s1
InChIKeyFWTJZLUGVUMCMJ-RNODOKPDSA-N
XLogP4.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate with MolForge

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Related Compounds

tert-butyl (1R,13S)-6-(hydroxymethyl)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carboxylate
CID 10544186
tert-butyl (1S,12R)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carboxylate
CID 10755638
tert-butyl 4-oxospiro[3H-isoquinoline-1,1'-cyclopropane]-2-carboxylate
CID 175526815
tert-butyl (12S)-3-methyl-7-oxo-5-thia-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carboxylate
CID 135272061
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl (1S,9bR)-8-methoxy-1,9b-dimethyl-5-oxo-1,2-dihydrobenzo[e]indole-3-carboxylate
CID 166685528
tert-butyl 4-methyl-7-oxo-5-oxa-3,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carboxylate
CID 154664776
tert-butyl 5-oxo-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene-9b-carboxylate
CID 102319397
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
tert-butyl 5-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 90893433
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate?
The IUPAC name of tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate (CID 10711177) is tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate.
What is the SMILES notation for tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate?
The canonical SMILES for tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]2C[C@@]23C1=CC(=O)c1ccccc13.
What is the InChIKey of tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate?
The InChIKey is FWTJZLUGVUMCMJ-RNODOKPDSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(2,3)24-18(23)21-10-6-7-13-12-20(13)15-9-5-4-8-14(15)16(22)11-17(20)21/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3/t13-,20+/m0/s1.
What are the key properties of tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate?
tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,15S)-8-oxo-11-azatetracyclo[8.6.0.01,15.02,7]hexadeca-2,4,6,9-tetraene-11-carboxylate is sourced from PubChem (CID 10711177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).