3-(1-ethyl-5-methylindol-2-yl)propanoic acid

C14H17NO2 — CID 117121517

IUPAC3-(1-ethyl-5-methylindol-2-yl)propanoic acid
SMILESCCn1c(CCC(=O)O)cc2cc(C)ccc21
InChIInChI=1S/C14H17NO2/c1-3-15-12(5-7-14(16)17)9-11-8-10(2)4-6-13(11)15/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyGRFJUTUXPKIHPM-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.99
Rot. Bonds4

About 3-(1-ethyl-5-methylindol-2-yl)propanoic acid

3-(1-ethyl-5-methylindol-2-yl)propanoic acid (PubChem CID 117121517) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-5-methylindol-2-yl)propanoic acid
PubChem CID117121517
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(1-ethyl-5-methylindol-2-yl)propanoic acid
SMILESCCn1c(CCC(=O)O)cc2cc(C)ccc21
InChIInChI=1S/C14H17NO2/c1-3-15-12(5-7-14(16)17)9-11-8-10(2)4-6-13(11)15/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyGRFJUTUXPKIHPM-UHFFFAOYSA-N
XLogP2.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(benzenesulfonyl)-5-methylindol-2-yl]propanoic acid
CID 68677465
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
ethane;methyl 3-(1-ethylindol-2-yl)propanoate
CID 91236893
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
2-(1-ethyl-5-methylindol-2-yl)propan-1-ol
CID 117121500
3-[5-chloro-1-(3-methylphenyl)sulfonylindol-2-yl]propanoic acid
CID 68675467
1-ethyl-2-(ethylsulfonylmethyl)indole-5-carboxylic acid
CID 117177444
3-[3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methoxyphenyl]propanoic acid
CID 70038596
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylindol-2-yl)propanoic acid?
The IUPAC name of 3-(1-ethyl-5-methylindol-2-yl)propanoic acid (CID 117121517) is 3-(1-ethyl-5-methylindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-5-methylindol-2-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-5-methylindol-2-yl)propanoic acid is CCn1c(CCC(=O)O)cc2cc(C)ccc21.
What is the InChIKey of 3-(1-ethyl-5-methylindol-2-yl)propanoic acid?
The InChIKey is GRFJUTUXPKIHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-15-12(5-7-14(16)17)9-11-8-10(2)4-6-13(11)15/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-(1-ethyl-5-methylindol-2-yl)propanoic acid?
3-(1-ethyl-5-methylindol-2-yl)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylindol-2-yl)propanoic acid is sourced from PubChem (CID 117121517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).