2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid

C13H13NO5 — CID 83162648

IUPAC2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
SMILESCOc1cccc2[nH]cc(C(=O)COCC(=O)O)c12
InChIInChI=1S/C13H13NO5/c1-18-11-4-2-3-9-13(11)8(5-14-9)10(15)6-19-7-12(16)17/h2-5,14H,6-7H2,1H3,(H,16,17)
InChIKeyWTODSHFTRLNDRF-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.46
Rot. Bonds6

About 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid

2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid (PubChem CID 83162648) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
PubChem CID83162648
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
SMILESCOc1cccc2[nH]cc(C(=O)COCC(=O)O)c12
InChIInChI=1S/C13H13NO5/c1-18-11-4-2-3-9-13(11)8(5-14-9)10(15)6-19-7-12(16)17/h2-5,14H,6-7H2,1H3,(H,16,17)
InChIKeyWTODSHFTRLNDRF-UHFFFAOYSA-N
XLogP1.46
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206823
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
2-[2-(4-cyano-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 107918751
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
4-(4-methoxy-1H-indole-3-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520237
2-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethoxy]acetic acid
CID 61327591
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid (CID 83162648) is 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid is COc1cccc2[nH]cc(C(=O)COCC(=O)O)c12.
What is the InChIKey of 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid?
The InChIKey is WTODSHFTRLNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-18-11-4-2-3-9-13(11)8(5-14-9)10(15)6-19-7-12(16)17/h2-5,14H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid?
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 83162648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).