2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid

C14H17NO2 — CID 83859664

IUPAC2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
SMILESCCc1cccc2c(C)c(C(C)C(=O)O)[nH]c12
InChIInChI=1S/C14H17NO2/c1-4-10-6-5-7-11-8(2)12(15-13(10)11)9(3)14(16)17/h5-7,9,15H,4H2,1-3H3,(H,16,17)
InChIKeyYFZSYZHMZJCDBK-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.23
Rot. Bonds3

About 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid

2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid (PubChem CID 83859664) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
PubChem CID83859664
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid
SMILESCCc1cccc2c(C)c(C(C)C(=O)O)[nH]c12
InChIInChI=1S/C14H17NO2/c1-4-10-6-5-7-11-8(2)12(15-13(10)11)9(3)14(16)17/h5-7,9,15H,4H2,1-3H3,(H,16,17)
InChIKeyYFZSYZHMZJCDBK-UHFFFAOYSA-N
XLogP3.23
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,7-diethyl-1H-indol-2-yl)ethanone
CID 21239672
8-ethyl-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylic acid
CID 84637722
1-(3-bromo-7-ethyl-1H-indol-2-yl)ethanone
CID 82372708
1-[3-methyl-2-[1-[3-methyl-7-(phenylcarbamoylamino)-1H-indol-2-yl]propyl]-1H-indol-7-yl]-3-phenylurea
CID 101494121
3-(7-ethyl-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
CID 84637841
(E)-3-(7-ethyl-2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 82279146
8-ethyl-1,4-dimethyl-9H-carbazol-3-amine
CID 139222915
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
ethyl 2-(2-amino-7-ethyl-1H-indol-3-yl)acetate
CID 70416752
3-(2-aminoethyl)-7-ethyl-1H-indole-2-carboxylic acid
CID 84740939
2-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid
CID 4211114
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid (CID 83859664) is 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid is CCc1cccc2c(C)c(C(C)C(=O)O)[nH]c12.
What is the InChIKey of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
The InChIKey is YFZSYZHMZJCDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-6-5-7-11-8(2)12(15-13(10)11)9(3)14(16)17/h5-7,9,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid?
2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3-methyl-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 83859664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).