3-(7-chloro-1-ethylindol-3-yl)propanoic acid

C13H14ClNO2 — CID 117197744

IUPAC3-(7-chloro-1-ethylindol-3-yl)propanoic acid
SMILESCCn1cc(CCC(=O)O)c2cccc(Cl)c21
InChIInChI=1S/C13H14ClNO2/c1-2-15-8-9(6-7-12(16)17)10-4-3-5-11(14)13(10)15/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyVEXXIPGGSFFPEU-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.33
Rot. Bonds4

About 3-(7-chloro-1-ethylindol-3-yl)propanoic acid

3-(7-chloro-1-ethylindol-3-yl)propanoic acid (PubChem CID 117197744) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-(7-chloro-1-ethylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-chloro-1-ethylindol-3-yl)propanoic acid
PubChem CID117197744
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-(7-chloro-1-ethylindol-3-yl)propanoic acid
SMILESCCn1cc(CCC(=O)O)c2cccc(Cl)c21
InChIInChI=1S/C13H14ClNO2/c1-2-15-8-9(6-7-12(16)17)10-4-3-5-11(14)13(10)15/h3-5,8H,2,6-7H2,1H3,(H,16,17)
InChIKeyVEXXIPGGSFFPEU-UHFFFAOYSA-N
XLogP3.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(7-chloro-1-ethylindol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
CID 117197676
3-(7-ethynyl-1-methylindol-3-yl)propanoic acid
CID 138576740
3-(7-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 60783679
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propanoic acid
CID 117197320
N-[(7-chloro-1-ethylindol-3-yl)methyl]cyclopropanamine
CID 117182263
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
1-ethyl-3-(sulfanylmethyl)indole-7-carboxylic acid
CID 117182667
3-(7-cyclopropyl-1-methylindol-3-yl)propanoic acid
CID 134481132

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-ethylindol-3-yl)propanoic acid?
The IUPAC name of 3-(7-chloro-1-ethylindol-3-yl)propanoic acid (CID 117197744) is 3-(7-chloro-1-ethylindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-chloro-1-ethylindol-3-yl)propanoic acid?
The canonical SMILES for 3-(7-chloro-1-ethylindol-3-yl)propanoic acid is CCn1cc(CCC(=O)O)c2cccc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-ethylindol-3-yl)propanoic acid?
The InChIKey is VEXXIPGGSFFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-15-8-9(6-7-12(16)17)10-4-3-5-11(14)13(10)15/h3-5,8H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(7-chloro-1-ethylindol-3-yl)propanoic acid?
3-(7-chloro-1-ethylindol-3-yl)propanoic acid has a molecular weight of 251.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-ethylindol-3-yl)propanoic acid is sourced from PubChem (CID 117197744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).