ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate

C13H19N3O2 — CID 114051037

IUPACethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1ncc(C)cc1N
InChIInChI=1S/C13H19N3O2/c1-3-18-13(17)11-5-4-6-16(11)12-10(14)7-9(2)8-15-12/h7-8,11H,3-6,14H2,1-2H3
InChIKeyHEJWMPUMXRCMRE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.50
Rot. Bonds3

About ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate

ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate (PubChem CID 114051037) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
PubChem CID114051037
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1ncc(C)cc1N
InChIInChI=1S/C13H19N3O2/c1-3-18-13(17)11-5-4-6-16(11)12-10(14)7-9(2)8-15-12/h7-8,11H,3-6,14H2,1-2H3
InChIKeyHEJWMPUMXRCMRE-UHFFFAOYSA-N
XLogP1.50
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(3-amino-5-methyl-2-pyridinyl)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

Related Compounds

ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103583949
ethyl (2S)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 58324356
ethyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989684
ethyl 1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79176555
ethyl 1-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62004802
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
ethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-2-carboxylate
CID 103080502
ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 66333084
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate
CID 115539399

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate (CID 114051037) is ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1ncc(C)cc1N.
What is the InChIKey of ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate?
The InChIKey is HEJWMPUMXRCMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-18-13(17)11-5-4-6-16(11)12-10(14)7-9(2)8-15-12/h7-8,11H,3-6,14H2,1-2H3.
What are the key properties of ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate?
ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 114051037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).