5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid

C13H13NO5 — CID 141133258

IUPAC5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C(=O)OC21CCN(C(=O)O)C1
InChIInChI=1S/C13H13NO5/c1-18-8-2-3-10-9(6-8)11(15)19-13(10)4-5-14(7-13)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,16,17)
InChIKeyXIIWCQWOPBGSPG-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.44
Rot. Bonds1

About 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid

5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid (PubChem CID 141133258) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
PubChem CID141133258
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C(=O)OC21CCN(C(=O)O)C1
InChIInChI=1S/C13H13NO5/c1-18-8-2-3-10-9(6-8)11(15)19-13(10)4-5-14(7-13)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,16,17)
InChIKeyXIIWCQWOPBGSPG-UHFFFAOYSA-N
XLogP1.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
6-methoxy-1'-(4'-oxospiro[1,3-dihydroindene-2,5'-1,3-oxazole]-2'-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 118174284
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
methanamine;5-methoxy-N-methyl-3-oxo-N-(2-pyrrolidin-1-ylethyl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 158594299
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one;2,2,2-trifluoroacetic acid
CID 66783819
1'-(4-methoxy-2-methylphenyl)sulfonylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618368
6-methoxy-1'-[4-(3-piperidin-1-ylpropoxy)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 66783820
(3R)-1'-[2-methyl-2-[4-(trifluoromethyl)phenoxy]propanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11524573
3'-chloro-8'-methoxyspiro[azetidine-3,6'-benzo[c]chromene]-1-carboxylic acid
CID 172712441
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158166051

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid?
The IUPAC name of 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid (CID 141133258) is 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid.
What is the SMILES notation for 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid?
The canonical SMILES for 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid is COc1ccc2c(c1)C(=O)OC21CCN(C(=O)O)C1.
What is the InChIKey of 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid?
The InChIKey is XIIWCQWOPBGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-18-8-2-3-10-9(6-8)11(15)19-13(10)4-5-14(7-13)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid?
5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylic acid is sourced from PubChem (CID 141133258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).