2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid

C11H15N3O3 — CID 61264748

IUPAC2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
SMILESCNC(=O)c1cc(NC(C)(C)C(=O)O)ccn1
InChIInChI=1S/C11H15N3O3/c1-11(2,10(16)17)14-7-4-5-13-8(6-7)9(15)12-3/h4-6H,1-3H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyXZIWWPSRRVSAOC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.72
Rot. Bonds4

About 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid

2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid (PubChem CID 61264748) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
PubChem CID61264748
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
SMILESCNC(=O)c1cc(NC(C)(C)C(=O)O)ccn1
InChIInChI=1S/C11H15N3O3/c1-11(2,10(16)17)14-7-4-5-13-8(6-7)9(15)12-3/h4-6H,1-3H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyXZIWWPSRRVSAOC-UHFFFAOYSA-N
XLogP0.72
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 114155484
4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 105058494
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526015
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid (CID 61264748) is 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid is CNC(=O)c1cc(NC(C)(C)C(=O)O)ccn1.
What is the InChIKey of 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
The InChIKey is XZIWWPSRRVSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,10(16)17)14-7-4-5-13-8(6-7)9(15)12-3/h4-6H,1-3H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid?
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 61264748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).