[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate

C17H23N3O3 — CID 7702748

IUPAC[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate
SMILESCC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cnccn2)C1
InChIInChI=1S/C17H23N3O3/c1-16(2)6-12-7-17(3,10-16)11-20(12)14(21)9-23-15(22)13-8-18-4-5-19-13/h4-5,8,12H,6-7,9-11H2,1-3H3/t12-,17-/m0/s1
InChIKeyIRUKMKWMMVVOMX-SJCJKPOMSA-N
MW317.39 g/mol
LogP2.06
Rot. Bonds3

About [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate

[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate (PubChem CID 7702748) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate
PubChem CID7702748
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate
SMILESCC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cnccn2)C1
InChIInChI=1S/C17H23N3O3/c1-16(2)6-12-7-17(3,10-16)11-20(12)14(21)9-23-15(22)13-8-18-4-5-19-13/h4-5,8,12H,6-7,9-11H2,1-3H3/t12-,17-/m0/s1
InChIKeyIRUKMKWMMVVOMX-SJCJKPOMSA-N
XLogP2.06
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-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 [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate (CID 7702748) is [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate is CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cnccn2)C1.
What is the InChIKey of [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate?
The InChIKey is IRUKMKWMMVVOMX-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-16(2)6-12-7-17(3,10-16)11-20(12)14(21)9-23-15(22)13-8-18-4-5-19-13/h4-5,8,12H,6-7,9-11H2,1-3H3/t12-,17-/m0/s1.
What are the key properties of [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate?
[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7702748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).