ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate

C15H22N2O3 — CID 100698900

IUPACethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCN1Cc1cccnc1OC
InChIInChI=1S/C15H22N2O3/c1-3-20-14(18)10-13-7-5-9-17(13)11-12-6-4-8-16-15(12)19-2/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyBOGDHLJWJTWBIF-CYBMUJFWSA-N
MW278.35 g/mol
LogP2.01
Rot. Bonds6

About ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate

ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate (PubChem CID 100698900) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate
PubChem CID100698900
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CCCN1Cc1cccnc1OC
InChIInChI=1S/C15H22N2O3/c1-3-20-14(18)10-13-7-5-9-17(13)11-12-6-4-8-16-15(12)19-2/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyBOGDHLJWJTWBIF-CYBMUJFWSA-N
XLogP2.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 114338611
tert-butyl 2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106637826
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 56883612
3-[(2-ethylpyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62894282
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 42565131
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate (CID 100698900) is ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate is CCOC(=O)C[C@H]1CCCN1Cc1cccnc1OC.
What is the InChIKey of ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate?
The InChIKey is BOGDHLJWJTWBIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-14(18)10-13-7-5-9-17(13)11-12-6-4-8-16-15(12)19-2/h4,6,8,13H,3,5,7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate?
ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate has a molecular weight of 278.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 100698900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).