ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate

C17H20N2O3 — CID 132520336

IUPACethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate
SMILESCCOC(=O)C1=CN2CC[C@]3(O)c4ccccc4N([C@H]1C)[C@H]23
InChIInChI=1S/C17H20N2O3/c1-3-22-15(20)12-10-18-9-8-17(21)13-6-4-5-7-14(13)19(11(12)2)16(17)18/h4-7,10-11,16,21H,3,8-9H2,1-2H3/t11-,16-,17-/m0/s1
InChIKeyVAAAQKDVVWRLEJ-GOPGUHFVSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds2

About ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate

ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate (PubChem CID 132520336) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate.

Molecular Properties

Compound Nameethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate
PubChem CID132520336
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate
SMILESCCOC(=O)C1=CN2CC[C@]3(O)c4ccccc4N([C@H]1C)[C@H]23
InChIInChI=1S/C17H20N2O3/c1-3-22-15(20)12-10-18-9-8-17(21)13-6-4-5-7-14(13)19(11(12)2)16(17)18/h4-7,10-11,16,21H,3,8-9H2,1-2H3/t11-,16-,17-/m0/s1
InChIKeyVAAAQKDVVWRLEJ-GOPGUHFVSA-N
XLogP1.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate?
The IUPAC name of ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate (CID 132520336) is ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate.
What is the SMILES notation for ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate?
The canonical SMILES for ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate is CCOC(=O)C1=CN2CC[C@]3(O)c4ccccc4N([C@H]1C)[C@H]23.
What is the InChIKey of ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate?
The InChIKey is VAAAQKDVVWRLEJ-GOPGUHFVSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-22-15(20)12-10-18-9-8-17(21)13-6-4-5-7-14(13)19(11(12)2)16(17)18/h4-7,10-11,16,21H,3,8-9H2,1-2H3/t11-,16-,17-/m0/s1.
What are the key properties of ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate?
ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate is sourced from PubChem (CID 132520336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).