2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid

C15H20N2O2 — CID 115136494

IUPAC2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
SMILESCc1[nH]c2ccccc2c1N(C)CC(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-10-13(11-7-5-6-8-12(11)16-10)17(4)9-15(2,3)14(18)19/h5-8,16H,9H2,1-4H3,(H,18,19)
InChIKeyJVSAIYOUEOQGSK-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.02
Rot. Bonds4

About 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid

2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid (PubChem CID 115136494) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
PubChem CID115136494
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid
SMILESCc1[nH]c2ccccc2c1N(C)CC(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-10-13(11-7-5-6-8-12(11)16-10)17(4)9-15(2,3)14(18)19/h5-8,16H,9H2,1-4H3,(H,18,19)
InChIKeyJVSAIYOUEOQGSK-UHFFFAOYSA-N
XLogP3.02
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,2-dimethyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 115178660
N-methyl-N-(2-methyl-1H-indol-3-yl)-2-sulfanylacetamide
CID 115167052
3-[methyl-(2-methyl-1H-indol-3-yl)amino]butanoic acid
CID 117042118
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
1-(hydroxymethyl)-N-methyl-N-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182147
N'-methyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115201113
ethyl 2-[methyl-(2-methyl-1H-indol-3-yl)amino]-2-oxoacetate
CID 115141911
2-methyl-2-[methyl-(2-methyl-1H-indol-3-yl)amino]propanenitrile
CID 115129151
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951
N',2-dimethyl-N'-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 115203083
3-amino-3-(2-methyl-1H-indol-3-yl)butanoic acid
CID 82289641

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid (CID 115136494) is 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid is Cc1[nH]c2ccccc2c1N(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid?
The InChIKey is JVSAIYOUEOQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-13(11-7-5-6-8-12(11)16-10)17(4)9-15(2,3)14(18)19/h5-8,16H,9H2,1-4H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid?
2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-(2-methyl-1H-indol-3-yl)amino]propanoic acid is sourced from PubChem (CID 115136494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).