[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate

C20H22N2O3 — CID 70314846

IUPAC[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate
SMILESO=C(O[C@H]1CCCC2C(=O)CN3C(CC23)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O3/c23-19-11-22-12-8-13(4-3-6-15(19)18(22)9-12)25-20(24)16-10-21-17-7-2-1-5-14(16)17/h1-2,5,7,10,12-13,15,18,21H,3-4,6,8-9,11H2/t12?,13-,15?,18?/m0/s1
InChIKeyLPMHBZOFDZUNEB-GBXQIFIISA-N
MW338.41 g/mol
LogP2.91
Rot. Bonds2

About [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate

[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate (PubChem CID 70314846) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate
PubChem CID70314846
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate
SMILESO=C(O[C@H]1CCCC2C(=O)CN3C(CC23)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O3/c23-19-11-22-12-8-13(4-3-6-15(19)18(22)9-12)25-20(24)16-10-21-17-7-2-1-5-14(16)17/h1-2,5,7,10,12-13,15,18,21H,3-4,6,8-9,11H2/t12?,13-,15?,18?/m0/s1
InChIKeyLPMHBZOFDZUNEB-GBXQIFIISA-N
XLogP2.91
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate with MolForge

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Related Compounds

[(3S,7S)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 25173178
[(3S,7R,10R)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 91617591
[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
CID 23376538
[8-(1,1-dideuterioethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 89080474
methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
2,6-diaminohexanoic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 67363432
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 6-deuterio-1H-indole-3-carboxylate
CID 89080439
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-2-yl) 1H-indole-2-carboxylate
CID 70385420
1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate
CID 25050290
2-hydroxypropane-1,2,3-tricarboxylic acid;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 164512876
(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate
CID 15132444
(10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl) quinoline-4-carboxylate;hydrochloride
CID 70044127

Frequently Asked Questions

What is the IUPAC name of [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate?
The IUPAC name of [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate (CID 70314846) is [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate.
What is the SMILES notation for [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate?
The canonical SMILES for [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate is O=C(O[C@H]1CCCC2C(=O)CN3C(CC23)C1)c1c[nH]c2ccccc12.
What is the InChIKey of [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate?
The InChIKey is LPMHBZOFDZUNEB-GBXQIFIISA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19-11-22-12-8-13(4-3-6-15(19)18(22)9-12)25-20(24)16-10-21-17-7-2-1-5-14(16)17/h1-2,5,7,10,12-13,15,18,21H,3-4,6,8-9,11H2/t12?,13-,15?,18?/m0/s1.
What are the key properties of [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate?
[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate is sourced from PubChem (CID 70314846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).