2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid

C12H16N2O3 — CID 110836392

IUPAC2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1ccnc(C(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-6-13-9(7-8)10(15)14(4)12(2,3)11(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyWTFKAHGFYQDXFH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.33
Rot. Bonds3

About 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 110836392) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID110836392
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1ccnc(C(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-6-13-9(7-8)10(15)14(4)12(2,3)11(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyWTFKAHGFYQDXFH-UHFFFAOYSA-N
XLogP1.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836401
2,2-difluoro-3-(4-methyl-2-pyridinyl)-3-oxopropanoic acid
CID 130501679
N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
CID 160549181
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836400
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 62817918
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55152096
2-methyl-2-[methyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119200350
2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119200022
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
methyl 4-methylpyridine-2-carboxylate
CID 10920693
2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 106752589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid (CID 110836392) is 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid is Cc1ccnc(C(=O)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is WTFKAHGFYQDXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-6-13-9(7-8)10(15)14(4)12(2,3)11(16)17/h5-7H,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).