2-ethoxy-3-(1H-indol-6-yl)propanoic acid

C13H15NO3 — CID 22485680

IUPAC2-ethoxy-3-(1H-indol-6-yl)propanoic acid
SMILESCCOC(Cc1ccc2cc[nH]c2c1)C(=O)O
InChIInChI=1S/C13H15NO3/c1-2-17-12(13(15)16)8-9-3-4-10-5-6-14-11(10)7-9/h3-7,12,14H,2,8H2,1H3,(H,15,16)
InChIKeyPRZQRPOSJMYZIU-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.20
Rot. Bonds5

About 2-ethoxy-3-(1H-indol-6-yl)propanoic acid

2-ethoxy-3-(1H-indol-6-yl)propanoic acid (PubChem CID 22485680) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethoxy-3-(1H-indol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(1H-indol-6-yl)propanoic acid
PubChem CID22485680
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-ethoxy-3-(1H-indol-6-yl)propanoic acid
SMILESCCOC(Cc1ccc2cc[nH]c2c1)C(=O)O
InChIInChI=1S/C13H15NO3/c1-2-17-12(13(15)16)8-9-3-4-10-5-6-14-11(10)7-9/h3-7,12,14H,2,8H2,1H3,(H,15,16)
InChIKeyPRZQRPOSJMYZIU-UHFFFAOYSA-N
XLogP2.20
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-ethoxy-3-(4-iodophenyl)propanoic acid
CID 133245448
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
3-(2-benzyl-1H-indol-5-yl)-2-ethoxypropanoic acid
CID 44625054
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
3-(3,5-dimethylphenyl)-2-ethoxypropanoic acid
CID 133237900
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
3-[4-(2,2-diethoxyethoxy)phenyl]-2-ethoxypropanoic acid
CID 70033606
3-[4-[2-(4-benzylphenoxy)ethoxy]phenyl]-2-ethoxypropanoic acid
CID 141125255

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1H-indol-6-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(1H-indol-6-yl)propanoic acid (CID 22485680) is 2-ethoxy-3-(1H-indol-6-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(1H-indol-6-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(1H-indol-6-yl)propanoic acid is CCOC(Cc1ccc2cc[nH]c2c1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(1H-indol-6-yl)propanoic acid?
The InChIKey is PRZQRPOSJMYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-17-12(13(15)16)8-9-3-4-10-5-6-14-11(10)7-9/h3-7,12,14H,2,8H2,1H3,(H,15,16).
What are the key properties of 2-ethoxy-3-(1H-indol-6-yl)propanoic acid?
2-ethoxy-3-(1H-indol-6-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1H-indol-6-yl)propanoic acid is sourced from PubChem (CID 22485680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).