4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid

C14H17NO2 — CID 175063966

IUPAC4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid
SMILESCc1cccc2[nH]c(CCCC(=O)O)c(C)c12
InChIInChI=1S/C14H17NO2/c1-9-5-3-7-12-14(9)10(2)11(15-12)6-4-8-13(16)17/h3,5,7,15H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyRZZCBCJOMFFYCQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.19
Rot. Bonds4

About 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid

4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid (PubChem CID 175063966) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid
PubChem CID175063966
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid
SMILESCc1cccc2[nH]c(CCCC(=O)O)c(C)c12
InChIInChI=1S/C14H17NO2/c1-9-5-3-7-12-14(9)10(2)11(15-12)6-4-8-13(16)17/h3,5,7,15H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyRZZCBCJOMFFYCQ-UHFFFAOYSA-N
XLogP3.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-(3,4-dimethyl-1H-indol-2-yl)butanoic 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

4-[4-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-yl]butanoic acid
CID 70382660
methyl 2-butyl-4-methyl-1H-indole-3-carboxylate
CID 18946677
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038
decanedioic acid;1,2-xylene;1,3-xylene
CID 175017838
4-(1H-indol-2-yl)butanoic acid;1-methylcyclopropene
CID 174808423
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051
4-(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)butanoic acid
CID 82406806
cobalt;octanoic acid;1,2-xylene
CID 175075701
7-(2-methylphenoxy)heptanoic acid
CID 92930643
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
2-[2-(carboxymethyl)-4-hydroxy-1H-indol-3-yl]acetic acid
CID 134812921

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid?
The IUPAC name of 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid (CID 175063966) is 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid.
What is the SMILES notation for 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid?
The canonical SMILES for 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid is Cc1cccc2[nH]c(CCCC(=O)O)c(C)c12.
What is the InChIKey of 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid?
The InChIKey is RZZCBCJOMFFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-5-3-7-12-14(9)10(2)11(15-12)6-4-8-13(16)17/h3,5,7,15H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid?
4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid is sourced from PubChem (CID 175063966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).