1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid

C15H19N3O3 — CID 70797894

IUPAC1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid
SMILESCNC(C)(C)C(=O)Nc1cccc2c1cc(C(=O)O)n2C
InChIInChI=1S/C15H19N3O3/c1-15(2,16-3)14(21)17-10-6-5-7-11-9(10)8-12(13(19)20)18(11)4/h5-8,16H,1-4H3,(H,17,21)(H,19,20)
InChIKeyZYIYUAHHWASBKP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.81
Rot. Bonds4

About 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid

1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid (PubChem CID 70797894) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid
PubChem CID70797894
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid
SMILESCNC(C)(C)C(=O)Nc1cccc2c1cc(C(=O)O)n2C
InChIInChI=1S/C15H19N3O3/c1-15(2,16-3)14(21)17-10-6-5-7-11-9(10)8-12(13(19)20)18(11)4/h5-8,16H,1-4H3,(H,17,21)(H,19,20)
InChIKeyZYIYUAHHWASBKP-UHFFFAOYSA-N
XLogP1.81
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methylindole-2-carboxylic acid
CID 84771435
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 62845966
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991
2-methyl-2-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55121879
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62836388
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
(E)-4-[(1-methyl-2-phenylindol-4-yl)amino]pent-3-en-2-one
CID 42648039
3-(tert-butylcarbamoyl)-1-methylindole-2-carboxylic acid
CID 117062276
2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid (CID 70797894) is 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid is CNC(C)(C)C(=O)Nc1cccc2c1cc(C(=O)O)n2C.
What is the InChIKey of 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid?
The InChIKey is ZYIYUAHHWASBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,16-3)14(21)17-10-6-5-7-11-9(10)8-12(13(19)20)18(11)4/h5-8,16H,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid?
1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]indole-2-carboxylic acid is sourced from PubChem (CID 70797894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).