3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid

C16H19NO5 — CID 82047485

IUPAC3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
SMILESO=C(O)CCN1CCC2(CCc3cc4c(cc3O2)OCO4)C1
InChIInChI=1S/C16H19NO5/c18-15(19)2-5-17-6-4-16(9-17)3-1-11-7-13-14(21-10-20-13)8-12(11)22-16/h7-8H,1-6,9-10H2,(H,18,19)
InChIKeyOZNMSHUSGAIRMJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.66
Rot. Bonds3

About 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid

3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid (PubChem CID 82047485) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid.

Molecular Properties

Compound Name3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
PubChem CID82047485
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
SMILESO=C(O)CCN1CCC2(CCc3cc4c(cc3O2)OCO4)C1
InChIInChI=1S/C16H19NO5/c18-15(19)2-5-17-6-4-16(9-17)3-1-11-7-13-14(21-10-20-13)8-12(11)22-16/h7-8H,1-6,9-10H2,(H,18,19)
InChIKeyOZNMSHUSGAIRMJ-UHFFFAOYSA-N
XLogP1.66
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
CID 82047480
2-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047459
2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047405
3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propanoic acid
CID 94700040
3-(7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propanoic acid
CID 82046742
2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047094
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047408
2-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)pyridine-3-carboxylic acid
CID 146135827
2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047504
2-phenyl-5-(spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 154800338

Frequently Asked Questions

What is the IUPAC name of 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
The IUPAC name of 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid (CID 82047485) is 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid.
What is the SMILES notation for 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
The canonical SMILES for 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid is O=C(O)CCN1CCC2(CCc3cc4c(cc3O2)OCO4)C1.
What is the InChIKey of 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
The InChIKey is OZNMSHUSGAIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c18-15(19)2-5-17-6-4-16(9-17)3-1-11-7-13-14(21-10-20-13)8-12(11)22-16/h7-8H,1-6,9-10H2,(H,18,19).
What are the key properties of 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid?
3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid is sourced from PubChem (CID 82047485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).