ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate

C15H25N3O3 — CID 145427296

IUPACethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
SMILESCC.COC(=O)[C@H]1CCCN1CCn1cccc(N)c1=O
InChIInChI=1S/C13H19N3O3.C2H6/c1-19-13(18)11-5-3-6-15(11)8-9-16-7-2-4-10(14)12(16)17;1-2/h2,4,7,11H,3,5-6,8-9,14H2,1H3;1-2H3/t11-;/m1./s1
InChIKeyLVFPYJSNMJXFLI-RFVHGSKJSA-N
MW295.38 g/mol
LogP1.09
Rot. Bonds4

About ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate

ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate (PubChem CID 145427296) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
PubChem CID145427296
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nameethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate
SMILESCC.COC(=O)[C@H]1CCCN1CCn1cccc(N)c1=O
InChIInChI=1S/C13H19N3O3.C2H6/c1-19-13(18)11-5-3-6-15(11)8-9-16-7-2-4-10(14)12(16)17;1-2/h2,4,7,11H,3,5-6,8-9,14H2,1H3;1-2H3/t11-;/m1./s1
InChIKeyLVFPYJSNMJXFLI-RFVHGSKJSA-N
XLogP1.09
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-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 ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate (CID 145427296) is ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate is CC.COC(=O)[C@H]1CCCN1CCn1cccc(N)c1=O.
What is the InChIKey of ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is LVFPYJSNMJXFLI-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19N3O3.C2H6/c1-19-13(18)11-5-3-6-15(11)8-9-16-7-2-4-10(14)12(16)17;1-2/h2,4,7,11H,3,5-6,8-9,14H2,1H3;1-2H3/t11-;/m1./s1.
What are the key properties of ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate?
ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl (2R)-1-[2-(3-amino-2-oxo-1-pyridinyl)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 145427296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).