2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid

C15H17NO4 — CID 23337740

IUPAC2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid
SMILESCN1C(=O)C2(CCOC2(C)CC(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-14(9-12(17)18)15(7-8-20-14)10-5-3-4-6-11(10)16(2)13(15)19/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyBRYQITPNLDCGQW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.55
Rot. Bonds2

About 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid

2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid (PubChem CID 23337740) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid
PubChem CID23337740
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid
SMILESCN1C(=O)C2(CCOC2(C)CC(=O)O)c2ccccc21
InChIInChI=1S/C15H17NO4/c1-14(9-12(17)18)15(7-8-20-14)10-5-3-4-6-11(10)16(2)13(15)19/h3-6H,7-9H2,1-2H3,(H,17,18)
InChIKeyBRYQITPNLDCGQW-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-Carboxyethyl)-1-methyl-2-oxo-indolin-3-yl]propanoic acid
CID 11507570
3-[3-(2-Carboxyethyl)-1-ethyl-2-oxo-indolin-3-yl]propanoic acid
CID 11630877
diethyl (1S,2S)-1'-methyl-2'-oxospiro[cyclopropane-3,3'-indole]-1,2-dicarboxylate
CID 122193086
tert-butyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 134153485
[1-Methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102499449
Ethyl 1,3-dimethyl-2-oxoindole-3-carboxylate
CID 12450680
1-Benzyl-3-(ethoxycarbonylmethyl)-3-hydroxyindolin-2-one
CID 264548
[(3S)-1-methyl-2-oxo-3-(2,2,2-trifluoroethyl)indol-3-yl]methyl acetate
CID 102219059
Ethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-2,2-difluoropropanoate
CID 132820566
Ethyl 3-(1,3-dimethyl-2-oxoindolin-3-yl)-2-fluoropropanoate
CID 134817691
(3S)-5-fluoro-1-methyl-3'-methylidenespiro[indole-3,4'-oxolane]-2,2'-dione
CID 135038910
ethyl 2-[(3R)-3-[(3S)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]acetate
CID 10994234

Frequently Asked Questions

What is the IUPAC name of 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid?
The IUPAC name of 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid (CID 23337740) is 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid.
What is the SMILES notation for 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid?
The canonical SMILES for 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid is CN1C(=O)C2(CCOC2(C)CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid?
The InChIKey is BRYQITPNLDCGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-14(9-12(17)18)15(7-8-20-14)10-5-3-4-6-11(10)16(2)13(15)19/h3-6H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid?
2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid has a molecular weight of 275.30 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2'-dimethyl-2-oxospiro[indole-3,3'-oxolane]-2'-yl)acetic acid is sourced from PubChem (CID 23337740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).