2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid

C13H19N3O3 — CID 62821295

IUPAC2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)NCCc1ccncc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(2,11(17)18)16(3)12(19)15-9-6-10-4-7-14-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJGCPSEJINYUEDA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.13
Rot. Bonds5

About 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid (PubChem CID 62821295) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
PubChem CID62821295
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)NCCc1ccncc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(2,11(17)18)16(3)12(19)15-9-6-10-4-7-14-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJGCPSEJINYUEDA-UHFFFAOYSA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
2-[butan-2-yl(2-pyridin-4-ylethylcarbamoyl)amino]acetic acid
CID 61203871
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 66001214
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid (CID 62821295) is 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid is CN(C(=O)NCCc1ccncc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
The InChIKey is JGCPSEJINYUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,11(17)18)16(3)12(19)15-9-6-10-4-7-14-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62821295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).