methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate

C19H23N3O3 — CID 21245060

IUPACmethyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C(=O)NC2CC3CCC(C2)N3C)n2ccccc12
InChIInChI=1S/C19H23N3O3/c1-21-13-6-7-14(21)10-12(9-13)20-18(23)17-11-15(19(24)25-2)16-5-3-4-8-22(16)17/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,20,23)
InChIKeyUIHAEEWGNWUBHI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.08
Rot. Bonds3

About methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate

methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate (PubChem CID 21245060) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate
PubChem CID21245060
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate
SMILESCOC(=O)c1cc(C(=O)NC2CC3CCC(C2)N3C)n2ccccc12
InChIInChI=1S/C19H23N3O3/c1-21-13-6-7-14(21)10-12(9-13)20-18(23)17-11-15(19(24)25-2)16-5-3-4-8-22(16)17/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,20,23)
InChIKeyUIHAEEWGNWUBHI-UHFFFAOYSA-N
XLogP2.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate?
The IUPAC name of methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate (CID 21245060) is methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate.
What is the SMILES notation for methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate?
The canonical SMILES for methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate is COC(=O)c1cc(C(=O)NC2CC3CCC(C2)N3C)n2ccccc12.
What is the InChIKey of methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate?
The InChIKey is UIHAEEWGNWUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-13-6-7-14(21)10-12(9-13)20-18(23)17-11-15(19(24)25-2)16-5-3-4-8-22(16)17/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,20,23).
What are the key properties of methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate?
methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate is sourced from PubChem (CID 21245060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).