3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid

C17H23NO4 — CID 82047480

IUPAC3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
SMILESCCOc1ccc2c(c1)OC1(CC2)CCN(CCC(=O)O)C1
InChIInChI=1S/C17H23NO4/c1-2-21-14-4-3-13-5-7-17(22-15(13)11-14)8-10-18(12-17)9-6-16(19)20/h3-4,11H,2,5-10,12H2,1H3,(H,19,20)
InChIKeyKKIBAHQCRQGIRF-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.33
Rot. Bonds5

About 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid

3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid (PubChem CID 82047480) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
PubChem CID82047480
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid
SMILESCCOc1ccc2c(c1)OC1(CC2)CCN(CCC(=O)O)C1
InChIInChI=1S/C17H23NO4/c1-2-21-14-4-3-13-5-7-17(22-15(13)11-14)8-10-18(12-17)9-6-16(19)20/h3-4,11H,2,5-10,12H2,1H3,(H,19,20)
InChIKeyKKIBAHQCRQGIRF-UHFFFAOYSA-N
XLogP2.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047504
3-spiro[7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-6,3'-pyrrolidine]-1'-ylpropanoic acid
CID 82047485
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047405
3-[6-(5-oxohexoxy)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid
CID 66655483
3-[6-(2-phenoxyethoxy)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid
CID 66655858
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
3-(7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propanoic acid
CID 82046742
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047408
3-amino-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 107324984
3-[(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]sulfanylpropanoic acid
CID 92864019

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid?
The IUPAC name of 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid (CID 82047480) is 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid.
What is the SMILES notation for 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid?
The canonical SMILES for 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid is CCOc1ccc2c(c1)OC1(CC2)CCN(CCC(=O)O)C1.
What is the InChIKey of 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid?
The InChIKey is KKIBAHQCRQGIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-21-14-4-3-13-5-7-17(22-15(13)11-14)8-10-18(12-17)9-6-16(19)20/h3-4,11H,2,5-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid?
3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propanoic acid is sourced from PubChem (CID 82047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).