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

C13H13NO5 — CID 3242136

IUPAC2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid
SMILESO=C(O)CN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C13H13NO5/c15-11(16)8-14-10-5-2-1-4-9(10)13(12(14)17)18-6-3-7-19-13/h1-2,4-5H,3,6-8H2,(H,15,16)
InChIKeyFMNMTGIZLUSFMV-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.71
Rot. Bonds2

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

2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid (PubChem CID 3242136) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid
PubChem CID3242136
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid
SMILESO=C(O)CN1C(=O)C2(OCCCO2)c2ccccc21
InChIInChI=1S/C13H13NO5/c15-11(16)8-14-10-5-2-1-4-9(10)13(12(14)17)18-6-3-7-19-13/h1-2,4-5H,3,6-8H2,(H,15,16)
InChIKeyFMNMTGIZLUSFMV-UHFFFAOYSA-N
XLogP0.71
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-1'-methyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 583365
3-(2'-Oxospiro[[1,3]dioxolane-2,3'-indolin]-1'-yl)propanenitrile
CID 600599
1'-Allyl-5'-methylspiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 690354
4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 2921040
Spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
CID 281156
5,5-dimethylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 609514
6-Prop-2-ynylspiro[1,3-dioxolane-2,3'-indoline]-7-one
CID 699047
1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
Ethyl 2-(5'-bromo-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetate
CID 1110230
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
1-methyl-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl acetate
CID 3132850
1'-Allyl-7'-chlorospiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 9150101

Frequently Asked Questions

What is the IUPAC name of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid?
The IUPAC name of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid (CID 3242136) is 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid.
What is the SMILES notation for 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid?
The canonical SMILES for 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid is O=C(O)CN1C(=O)C2(OCCCO2)c2ccccc21.
What is the InChIKey of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid?
The InChIKey is FMNMTGIZLUSFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-11(16)8-14-10-5-2-1-4-9(10)13(12(14)17)18-6-3-7-19-13/h1-2,4-5H,3,6-8H2,(H,15,16).
What are the key properties of 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid?
2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid has a molecular weight of 263.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)acetic acid is sourced from PubChem (CID 3242136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).