2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid

C16H21NO3 — CID 82047405

IUPAC2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
SMILESCCc1ccc2c(c1)CCC1(CCN(CC(=O)O)C1)O2
InChIInChI=1S/C16H21NO3/c1-2-12-3-4-14-13(9-12)5-6-16(20-14)7-8-17(11-16)10-15(18)19/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,19)
InChIKeySYKWSBSQZVVNJC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.10
Rot. Bonds3

About 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid

2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid (PubChem CID 82047405) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
PubChem CID82047405
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
SMILESCCc1ccc2c(c1)CCC1(CCN(CC(=O)O)C1)O2
InChIInChI=1S/C16H21NO3/c1-2-12-3-4-14-13(9-12)5-6-16(20-14)7-8-17(11-16)10-15(18)19/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,19)
InChIKeySYKWSBSQZVVNJC-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The IUPAC name of 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid (CID 82047405) is 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid is CCc1ccc2c(c1)CCC1(CCN(CC(=O)O)C1)O2.
What is the InChIKey of 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
The InChIKey is SYKWSBSQZVVNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12-3-4-14-13(9-12)5-6-16(20-14)7-8-17(11-16)10-15(18)19/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid?
2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid is sourced from PubChem (CID 82047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).