2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid

C11H13NO3 — CID 84779473

IUPAC2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc2c(cn1)OCC2
InChIInChI=1S/C11H13NO3/c1-2-8(11(13)14)9-5-7-3-4-15-10(7)6-12-9/h5-6,8H,2-4H2,1H3,(H,13,14)
InChIKeyPNYFMWZNYSLYQD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.59
Rot. Bonds3

About 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid

2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid (PubChem CID 84779473) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid
PubChem CID84779473
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc2c(cn1)OCC2
InChIInChI=1S/C11H13NO3/c1-2-8(11(13)14)9-5-7-3-4-15-10(7)6-12-9/h5-6,8H,2-4H2,1H3,(H,13,14)
InChIKeyPNYFMWZNYSLYQD-UHFFFAOYSA-N
XLogP1.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)-2-(methylamino)ethanol
CID 84773128
2-(5-methylpyrazin-2-yl)butanoic acid
CID 82409079
2-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanoic acid
CID 65067942
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]butanoic acid
CID 65444695
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 63702713
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]butanoic acid
CID 76930433
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid?
The IUPAC name of 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid (CID 84779473) is 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid.
What is the SMILES notation for 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid?
The canonical SMILES for 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid is CCC(C(=O)O)c1cc2c(cn1)OCC2.
What is the InChIKey of 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid?
The InChIKey is PNYFMWZNYSLYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-8(11(13)14)9-5-7-3-4-15-10(7)6-12-9/h5-6,8H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid?
2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuro[2,3-c]pyridin-5-yl)butanoic acid is sourced from PubChem (CID 84779473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).