ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

C13H18N2O2 — CID 62028172

IUPACethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)12-7-5-9-15(12)10-11-6-3-4-8-14-11/h3-4,6,8,12H,2,5,7,9-10H2,1H3
InChIKeyRXNAYVGHYZDCPO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.61
Rot. Bonds4

About ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 62028172) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID62028172
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1ccccn1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)12-7-5-9-15(12)10-11-6-3-4-8-14-11/h3-4,6,8,12H,2,5,7,9-10H2,1H3
InChIKeyRXNAYVGHYZDCPO-UHFFFAOYSA-N
XLogP1.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
ethyl 1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2-carboxylate
CID 62028747
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 154798530

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (CID 62028172) is ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1ccccn1.
What is the InChIKey of ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is RXNAYVGHYZDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)12-7-5-9-15(12)10-11-6-3-4-8-14-11/h3-4,6,8,12H,2,5,7,9-10H2,1H3.
What are the key properties of ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).