ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate

C12H16N2O2 — CID 23000180

IUPACethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1c1ccccn1
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)10-8-13-7-9(10)11-5-3-4-6-14-11/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyUXWYDCAPQPYWIH-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.95
Rot. Bonds3

About ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate

ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate (PubChem CID 23000180) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
PubChem CID23000180
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1c1ccccn1
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)10-8-13-7-9(10)11-5-3-4-6-14-11/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyUXWYDCAPQPYWIH-UHFFFAOYSA-N
XLogP0.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
CID 114486851
ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 134162600
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
ethyl 4-(1-methylpyrrol-3-yl)pyrrolidine-3-carboxylate
CID 165344473
butyl (3R,4R)-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylate
CID 70915957
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
trans-ethyl (1S,3S)-2,2-difluoro-3-pyridin-2-ylcyclopropane-1-carboxylate
CID 132598437
ethyl 4-(3-propan-2-ylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486818
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
ethyl 4-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole-3-carboxylate
CID 136840747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate (CID 23000180) is ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1c1ccccn1.
What is the InChIKey of ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate?
The InChIKey is UXWYDCAPQPYWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-12(15)10-8-13-7-9(10)11-5-3-4-6-14-11/h3-6,9-10,13H,2,7-8H2,1H3.
What are the key properties of ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate?
ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyridin-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 23000180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).