4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid

C15H20N2O2 — CID 116908267

IUPAC4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
SMILESCC(CC(c1c[nH]c2ccccc12)N(C)C)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-10(15(18)19)8-14(17(2)3)12-9-16-13-7-5-4-6-11(12)13/h4-7,9-10,14,16H,8H2,1-3H3,(H,18,19)
InChIKeyAQCAXWQZKDFNNV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.88
Rot. Bonds5

About 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid

4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid (PubChem CID 116908267) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
PubChem CID116908267
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid
SMILESCC(CC(c1c[nH]c2ccccc12)N(C)C)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-10(15(18)19)8-14(17(2)3)12-9-16-13-7-5-4-6-11(12)13/h4-7,9-10,14,16H,8H2,1-3H3,(H,18,19)
InChIKeyAQCAXWQZKDFNNV-UHFFFAOYSA-N
XLogP2.88
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic 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

2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
2-[dimethylamino(1H-indol-3-yl)methyl]butanoic acid
CID 116913114
4-(dimethylamino)-4-(2-fluorophenyl)-2-methylbutanoic acid
CID 116908280
2-(1H-indol-3-yl)-3-methylbutanedioic acid
CID 57149405
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
N-[1-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 50916095
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
2-(1H-indol-3-yl)butanedioic acid
CID 588708
2-[[benzyl(hydroxy)phosphoryl]amino]-4-(1H-indol-3-yl)pentanoic acid
CID 69296374
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid?
The IUPAC name of 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid (CID 116908267) is 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid.
What is the SMILES notation for 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid?
The canonical SMILES for 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid is CC(CC(c1c[nH]c2ccccc12)N(C)C)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid?
The InChIKey is AQCAXWQZKDFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(15(18)19)8-14(17(2)3)12-9-16-13-7-5-4-6-11(12)13/h4-7,9-10,14,16H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid?
4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(1H-indol-3-yl)-2-methylbutanoic acid is sourced from PubChem (CID 116908267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).