3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid

C21H23NO4 — CID 121447246

IUPAC3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid
SMILESO=C(O)CCC1CCc2cc(-c3cccc(OCC4CC4)n3)ccc2O1
InChIInChI=1S/C21H23NO4/c23-21(24)11-9-17-8-6-16-12-15(7-10-19(16)26-17)18-2-1-3-20(22-18)25-13-14-4-5-14/h1-3,7,10,12,14,17H,4-6,8-9,11,13H2,(H,23,24)
InChIKeyUATXMEIOCNUUNR-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.10
Rot. Bonds7

About 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid

3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid (PubChem CID 121447246) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid
PubChem CID121447246
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid
SMILESO=C(O)CCC1CCc2cc(-c3cccc(OCC4CC4)n3)ccc2O1
InChIInChI=1S/C21H23NO4/c23-21(24)11-9-17-8-6-16-12-15(7-10-19(16)26-17)18-2-1-3-20(22-18)25-13-14-4-5-14/h1-3,7,10,12,14,17H,4-6,8-9,11,13H2,(H,23,24)
InChIKeyUATXMEIOCNUUNR-UHFFFAOYSA-N
XLogP4.10
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
The IUPAC name of 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid (CID 121447246) is 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid.
What is the SMILES notation for 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
The canonical SMILES for 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid is O=C(O)CCC1CCc2cc(-c3cccc(OCC4CC4)n3)ccc2O1.
What is the InChIKey of 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
The InChIKey is UATXMEIOCNUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-21(24)11-9-17-8-6-16-12-15(7-10-19(16)26-17)18-2-1-3-20(22-18)25-13-14-4-5-14/h1-3,7,10,12,14,17H,4-6,8-9,11,13H2,(H,23,24).
What are the key properties of 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid?
3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid has a molecular weight of 353.42 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(cyclopropylmethoxy)-2-pyridinyl]-3,4-dihydro-2H-chromen-2-yl]propanoic acid is sourced from PubChem (CID 121447246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).