2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid

C12H15NO3 — CID 117200526

IUPAC2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
SMILESCCN1CC(CC(=O)O)c2c(O)cccc21
InChIInChI=1S/C12H15NO3/c1-2-13-7-8(6-11(15)16)12-9(13)4-3-5-10(12)14/h3-5,8,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyMFTFCIHQFAWCFA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds3

About 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid

2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 117200526) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
PubChem CID117200526
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
SMILESCCN1CC(CC(=O)O)c2c(O)cccc21
InChIInChI=1S/C12H15NO3/c1-2-13-7-8(6-11(15)16)12-9(13)4-3-5-10(12)14/h3-5,8,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyMFTFCIHQFAWCFA-UHFFFAOYSA-N
XLogP1.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid (CID 117200526) is 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid is CCN1CC(CC(=O)O)c2c(O)cccc21.
What is the InChIKey of 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is MFTFCIHQFAWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-13-7-8(6-11(15)16)12-9(13)4-3-5-10(12)14/h3-5,8,14H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid?
2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 117200526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).