2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid

C14H19N3O4 — CID 65300331

IUPAC2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccncc1)C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-14(2,12(19)20)8-11(18)16-13(21)17(3)9-10-4-6-15-7-5-10/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyQXNLYUUGXWDODO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.25
Rot. Bonds5

About 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid

2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 65300331) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID65300331
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccncc1)C(=O)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C14H19N3O4/c1-14(2,12(19)20)8-11(18)16-13(21)17(3)9-10-4-6-15-7-5-10/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyQXNLYUUGXWDODO-UHFFFAOYSA-N
XLogP1.25
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
2,2-diethyl-4-[methyl(pyridin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 43564268
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
CID 106713922
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
2-[[benzyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61265938
2,2-dimethyl-4-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301302
2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
CID 47028268
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
2,2-dimethyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 79628858

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid (CID 65300331) is 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid is CN(Cc1ccncc1)C(=O)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is QXNLYUUGXWDODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,12(19)20)8-11(18)16-13(21)17(3)9-10-4-6-15-7-5-10/h4-7H,8-9H2,1-3H3,(H,19,20)(H,16,18,21).
What are the key properties of 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid?
2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 65300331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).