2-(7-ethylindol-1-yl)propanoic acid

C13H15NO2 — CID 60735777

IUPAC2-(7-ethylindol-1-yl)propanoic acid
SMILESCCc1cccc2ccn(C(C)C(=O)O)c12
InChIInChI=1S/C13H15NO2/c1-3-10-5-4-6-11-7-8-14(12(10)11)9(2)13(15)16/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyWNUAYMRARVZFJM-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.85
Rot. Bonds3

About 2-(7-ethylindol-1-yl)propanoic acid

2-(7-ethylindol-1-yl)propanoic acid (PubChem CID 60735777) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(7-ethylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-ethylindol-1-yl)propanoic acid
PubChem CID60735777
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(7-ethylindol-1-yl)propanoic acid
SMILESCCc1cccc2ccn(C(C)C(=O)O)c12
InChIInChI=1S/C13H15NO2/c1-3-10-5-4-6-11-7-8-14(12(10)11)9(2)13(15)16/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyWNUAYMRARVZFJM-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(7-chloroindol-1-yl)propanoic acid
CID 107427806
7-ethylindole-1-carboxylic acid
CID 22338112
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
3-(7-ethylindol-1-yl)-1-phenylpropan-1-one
CID 116691880
3-(1-ethylindol-7-yl)-2-methylpropanoic acid
CID 115106604
2-(7-chloroindol-1-yl)-N-(ethylcarbamoyl)propanamide
CID 103475259
2-(8-ethoxy-4-oxoquinolin-1-yl)propanoic acid
CID 66487386
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
methyl 2-(7-chloroindol-1-yl)propanoate
CID 103474207
N-methyl-1-(1-propan-2-ylindol-7-yl)propan-2-amine
CID 115106542

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethylindol-1-yl)propanoic acid?
The IUPAC name of 2-(7-ethylindol-1-yl)propanoic acid (CID 60735777) is 2-(7-ethylindol-1-yl)propanoic acid.
What is the SMILES notation for 2-(7-ethylindol-1-yl)propanoic acid?
The canonical SMILES for 2-(7-ethylindol-1-yl)propanoic acid is CCc1cccc2ccn(C(C)C(=O)O)c12.
What is the InChIKey of 2-(7-ethylindol-1-yl)propanoic acid?
The InChIKey is WNUAYMRARVZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10-5-4-6-11-7-8-14(12(10)11)9(2)13(15)16/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-ethylindol-1-yl)propanoic acid?
2-(7-ethylindol-1-yl)propanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethylindol-1-yl)propanoic acid is sourced from PubChem (CID 60735777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).