5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid

C16H19NO5 — CID 117490608

IUPAC5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1c2c(c(C3CC(C(=O)O)CN3)c3c1OCC3)OCC2
InChIInChI=1S/C16H19NO5/c1-20-14-10-3-5-21-13(10)12(9-2-4-22-15(9)14)11-6-8(7-17-11)16(18)19/h8,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyMWWIPVHGASITOI-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.30
Rot. Bonds3

About 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid

5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117490608) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid
PubChem CID117490608
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1c2c(c(C3CC(C(=O)O)CN3)c3c1OCC3)OCC2
InChIInChI=1S/C16H19NO5/c1-20-14-10-3-5-21-13(10)12(9-2-4-22-15(9)14)11-6-8(7-17-11)16(18)19/h8,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyMWWIPVHGASITOI-UHFFFAOYSA-N
XLogP1.30
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid (CID 117490608) is 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid is COc1c2c(c(C3CC(C(=O)O)CN3)c3c1OCC3)OCC2.
What is the InChIKey of 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is MWWIPVHGASITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-20-14-10-3-5-21-13(10)12(9-2-4-22-15(9)14)11-6-8(7-17-11)16(18)19/h8,11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid?
5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117490608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).