2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid

C14H15NO4 — CID 83944642

IUPAC2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
SMILESCCc1cn(CC(=O)O)c2cc3c(cc12)OCCO3
InChIInChI=1S/C14H15NO4/c1-2-9-7-15(8-14(16)17)11-6-13-12(5-10(9)11)18-3-4-19-13/h5-7H,2-4,8H2,1H3,(H,16,17)
InChIKeyDVVQYDASILTVKL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.06
Rot. Bonds3

About 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid

2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid (PubChem CID 83944642) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
PubChem CID83944642
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid
SMILESCCc1cn(CC(=O)O)c2cc3c(cc12)OCCO3
InChIInChI=1S/C14H15NO4/c1-2-9-7-15(8-14(16)17)11-6-13-12(5-10(9)11)18-3-4-19-13/h5-7H,2-4,8H2,1H3,(H,16,17)
InChIKeyDVVQYDASILTVKL-UHFFFAOYSA-N
XLogP2.06
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid with MolForge

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Related Compounds

3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947489
2-(5-tert-butyl-3-ethylindol-1-yl)acetic acid
CID 83945073
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
CID 83948430
6-butyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carboxylic acid
CID 83947501
3-(6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 83948412
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
2-amino-3-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117381037
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545
8-(4-ethylbenzoyl)-6-[(4-fluorophenyl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-one
CID 2136450
6-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indole-8-carbonitrile
CID 11499585
methyl 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
CID 14852082

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid?
The IUPAC name of 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid (CID 83944642) is 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid.
What is the SMILES notation for 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid?
The canonical SMILES for 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid is CCc1cn(CC(=O)O)c2cc3c(cc12)OCCO3.
What is the InChIKey of 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid?
The InChIKey is DVVQYDASILTVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-9-7-15(8-14(16)17)11-6-13-12(5-10(9)11)18-3-4-19-13/h5-7H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid?
2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid has a molecular weight of 261.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)acetic acid is sourced from PubChem (CID 83944642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).