2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid

C12H13NO4 — CID 84628063

IUPAC2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
SMILESCCc1cccc2c1NC(=O)C2(O)CC(=O)O
InChIInChI=1S/C12H13NO4/c1-2-7-4-3-5-8-10(7)13-11(16)12(8,17)6-9(14)15/h3-5,17H,2,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyWZQNADOUKRYSGT-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.86
Rot. Bonds3

About 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid

2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid (PubChem CID 84628063) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
PubChem CID84628063
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
SMILESCCc1cccc2c1NC(=O)C2(O)CC(=O)O
InChIInChI=1S/C12H13NO4/c1-2-7-4-3-5-8-10(7)13-11(16)12(8,17)6-9(14)15/h3-5,17H,2,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyWZQNADOUKRYSGT-UHFFFAOYSA-N
XLogP0.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one
CID 1287153
(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 39315528
3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360612
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 124886760
(3S)-3-hydroxy-7-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 92502313
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84622128
7-(methoxymethyl)-3,3-dimethyl-1H-indol-2-one
CID 80501187
carbonic acid;1,2-diethylbenzene
CID 89388803
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
azane;2-(2-ethylphenyl)acetic acid
CID 70384426

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid (CID 84628063) is 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid is CCc1cccc2c1NC(=O)C2(O)CC(=O)O.
What is the InChIKey of 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
The InChIKey is WZQNADOUKRYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-7-4-3-5-8-10(7)13-11(16)12(8,17)6-9(14)15/h3-5,17H,2,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid?
2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 84628063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).