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

C14H17NO2 — CID 82495481

IUPAC3-(2,4,7-trimethylindol-1-yl)propanoic acid
SMILESCc1ccc(C)c2c1cc(C)n2CCC(=O)O
InChIInChI=1S/C14H17NO2/c1-9-4-5-10(2)14-12(9)8-11(3)15(14)7-6-13(16)17/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyLAGYLOMQNMUPCR-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.04
Rot. Bonds3

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

3-(2,4,7-trimethylindol-1-yl)propanoic acid (PubChem CID 82495481) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(2,4,7-trimethylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4,7-trimethylindol-1-yl)propanoic acid
PubChem CID82495481
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(2,4,7-trimethylindol-1-yl)propanoic acid
SMILESCc1ccc(C)c2c1cc(C)n2CCC(=O)O
InChIInChI=1S/C14H17NO2/c1-9-4-5-10(2)14-12(9)8-11(3)15(14)7-6-13(16)17/h4-5,8H,6-7H2,1-3H3,(H,16,17)
InChIKeyLAGYLOMQNMUPCR-UHFFFAOYSA-N
XLogP3.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid
CID 82497937
3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
CID 91673050
3-(6,8-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502021
2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
CID 135333368
3-(2-ethoxycarbonyl-4-methylindol-1-yl)propanoic acid
CID 15548945
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
2-(4,7-dimethylindol-1-yl)acetic acid
CID 83944897
3-[[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2,7-dimethylindol-4-yl]amino]-3-oxopropanoic acid
CID 57486773
3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
CID 91673181
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,7-trimethylindol-1-yl)propanoic acid?
The IUPAC name of 3-(2,4,7-trimethylindol-1-yl)propanoic acid (CID 82495481) is 3-(2,4,7-trimethylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,4,7-trimethylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(2,4,7-trimethylindol-1-yl)propanoic acid is Cc1ccc(C)c2c1cc(C)n2CCC(=O)O.
What is the InChIKey of 3-(2,4,7-trimethylindol-1-yl)propanoic acid?
The InChIKey is LAGYLOMQNMUPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-4-5-10(2)14-12(9)8-11(3)15(14)7-6-13(16)17/h4-5,8H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,4,7-trimethylindol-1-yl)propanoic acid?
3-(2,4,7-trimethylindol-1-yl)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,7-trimethylindol-1-yl)propanoic acid is sourced from PubChem (CID 82495481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).