methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate

C15H22N2O3 — CID 54571875

IUPACmethyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate
SMILESCOC(=O)CCc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H22N2O3/c1-17-7-3-4-13(17)11-20-14-8-12(9-16-10-14)5-6-15(18)19-2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
InChIKeyZXWIKBOUFIEXEB-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.66
Rot. Bonds6

About methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate

methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate (PubChem CID 54571875) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate
PubChem CID54571875
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate
SMILESCOC(=O)CCc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H22N2O3/c1-17-7-3-4-13(17)11-20-14-8-12(9-16-10-14)5-6-15(18)19-2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
InChIKeyZXWIKBOUFIEXEB-ZDUSSCGKSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate?
The IUPAC name of methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate (CID 54571875) is methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate is COC(=O)CCc1cncc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate?
The InChIKey is ZXWIKBOUFIEXEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-7-3-4-13(17)11-20-14-8-12(9-16-10-14)5-6-15(18)19-2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate?
methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate is sourced from PubChem (CID 54571875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).