3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid

C15H17NO3 — CID 82047094

IUPAC3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
SMILESO=C(O)CCN1CCC2(C=Cc3ccccc3O2)C1
InChIInChI=1S/C15H17NO3/c17-14(18)6-9-16-10-8-15(11-16)7-5-12-3-1-2-4-13(12)19-15/h1-5,7H,6,8-11H2,(H,17,18)
InChIKeyXKMGWFFGEZYNOM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.01
Rot. Bonds3

About 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid

3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid (PubChem CID 82047094) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid.

Molecular Properties

Compound Name3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
PubChem CID82047094
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid
SMILESO=C(O)CCN1CCC2(C=Cc3ccccc3O2)C1
InChIInChI=1S/C15H17NO3/c17-14(18)6-9-16-10-8-15(11-16)7-5-12-3-1-2-4-13(12)19-15/h1-5,7H,6,8-11H2,(H,17,18)
InChIKeyXKMGWFFGEZYNOM-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
1'-benzylspiro[chromene-2,4'-piperidine]
CID 12887958
2-spiro[chromene-2,4'-piperidine]-1'-ylethanamine
CID 82046760
2-(6-chlorospiro[chromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047044
2-(3-oxo-3-spiro[chromene-2,4'-piperidine]-1'-ylpropyl)benzoic acid
CID 167949320
N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide
CID 50965687
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993
2-(7-ethoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046695
2-(7-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046694
2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione
CID 108754046
2-(5-methoxyspiro[chromene-2,4'-piperidine]-1'-yl)acetic acid
CID 82046698
2-[4-oxo-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
CID 108754045

Frequently Asked Questions

What is the IUPAC name of 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid?
The IUPAC name of 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid (CID 82047094) is 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid.
What is the SMILES notation for 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid?
The canonical SMILES for 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid is O=C(O)CCN1CCC2(C=Cc3ccccc3O2)C1.
What is the InChIKey of 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid?
The InChIKey is XKMGWFFGEZYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(18)6-9-16-10-8-15(11-16)7-5-12-3-1-2-4-13(12)19-15/h1-5,7H,6,8-11H2,(H,17,18).
What are the key properties of 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid?
3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[chromene-2,3'-pyrrolidine]-1'-ylpropanoic acid is sourced from PubChem (CID 82047094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).