2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid

C17H23NO3 — CID 82046713

IUPAC2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCc1cc(C)c2c(c1)OC1(CC2)CCN(CC(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-12-9-13(2)14-3-4-17(21-15(14)10-12)5-7-18(8-6-17)11-16(19)20/h9-10H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyJQLNDBAMUNTCCZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds2

About 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid

2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid (PubChem CID 82046713) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid
PubChem CID82046713
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid
SMILESCc1cc(C)c2c(c1)OC1(CC2)CCN(CC(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-12-9-13(2)14-3-4-17(21-15(14)10-12)5-7-18(8-6-17)11-16(19)20/h9-10H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyJQLNDBAMUNTCCZ-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047405
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047408
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate
CID 163392738
2-[4-(3,5-dimethylphenyl)piperazin-1-yl]acetic acid
CID 82118959
3-(7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propanoic acid
CID 82046742
(3,4-dimethylphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565592
2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)acetic acid
CID 92559778
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
2-[(3S)-3-(N-ethylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetic acid
CID 124943295
2-[7-fluoro-4-(4-methylphenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
CID 18770941
1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108739931

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid (CID 82046713) is 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid is Cc1cc(C)c2c(c1)OC1(CC2)CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid?
The InChIKey is JQLNDBAMUNTCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-9-13(2)14-3-4-17(21-15(14)10-12)5-7-18(8-6-17)11-16(19)20/h9-10H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid?
2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetic acid is sourced from PubChem (CID 82046713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).