3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid

C15H19NO2 — CID 82497937

IUPAC3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid
SMILESCc1ccc(C)c2c1c(C)c(C)n2CCC(=O)O
InChIInChI=1S/C15H19NO2/c1-9-5-6-10(2)15-14(9)11(3)12(4)16(15)8-7-13(17)18/h5-6H,7-8H2,1-4H3,(H,17,18)
InChIKeyXXQYTQVFXVULKU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.35
Rot. Bonds3

About 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid

3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid (PubChem CID 82497937) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid
PubChem CID82497937
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid
SMILESCc1ccc(C)c2c1c(C)c(C)n2CCC(=O)O
InChIInChI=1S/C15H19NO2/c1-9-5-6-10(2)15-14(9)11(3)12(4)16(15)8-7-13(17)18/h5-6H,7-8H2,1-4H3,(H,17,18)
InChIKeyXXQYTQVFXVULKU-UHFFFAOYSA-N
XLogP3.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4,7-trimethylindol-1-yl)propanoic acid
CID 82495481
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
CID 82498482
2-(2,3,4-trimethylindol-1-yl)acetic acid
CID 21386792
3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743197
3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
CID 91673050
1-butyl-2,3,6-trimethylindole-7-carboxylic acid
CID 83964750
1-(3-hydroxypropyl)-2,3,6-trimethylindole-7-carboxylic acid
CID 83964760
3-(6,8-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502021
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499867

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid?
The IUPAC name of 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid (CID 82497937) is 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid is Cc1ccc(C)c2c1c(C)c(C)n2CCC(=O)O.
What is the InChIKey of 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid?
The InChIKey is XXQYTQVFXVULKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-5-6-10(2)15-14(9)11(3)12(4)16(15)8-7-13(17)18/h5-6H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid?
3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid is sourced from PubChem (CID 82497937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).