2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid

C12H16N2O3 — CID 81367392

IUPAC2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NCC(C)(C)C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-9(6-13-8)10(15)14-7-12(2,3)11(16)17/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKEAFOKACWIELEE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.23
Rot. Bonds4

About 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 81367392) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID81367392
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NCC(C)(C)C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-9(6-13-8)10(15)14-7-12(2,3)11(16)17/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKEAFOKACWIELEE-UHFFFAOYSA-N
XLogP1.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
3-[(4-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368177
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid (CID 81367392) is 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid is Cc1ccc(C(=O)NCC(C)(C)C(=O)O)cn1.
What is the InChIKey of 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is KEAFOKACWIELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-5-9(6-13-8)10(15)14-7-12(2,3)11(16)17/h4-6H,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81367392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).