2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid

C13H18N2O3 — CID 119249860

IUPAC2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)NCC(C)(C)C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-10(7-14-9)6-11(16)15-8-13(2,3)12(17)18/h4-5,7H,6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYALFSLJFEQADFO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.16
Rot. Bonds5

About 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid

2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 119249860) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
PubChem CID119249860
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)NCC(C)(C)C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-10(7-14-9)6-11(16)15-8-13(2,3)12(17)18/h4-5,7H,6,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYALFSLJFEQADFO-UHFFFAOYSA-N
XLogP1.16
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111481633
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119192178
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 120687906
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 131962236
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid (CID 119249860) is 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid is Cc1ccc(CC(=O)NCC(C)(C)C(=O)O)cn1.
What is the InChIKey of 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is YALFSLJFEQADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-5-10(7-14-9)6-11(16)15-8-13(2,3)12(17)18/h4-5,7H,6,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).