2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid

C13H20N2O2 — CID 79261729

IUPAC2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cccc(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-5-15(13(3,4)12(16)17)9-11-8-6-7-10(2)14-11/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyLNHNRJDUSNEJNX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds5

About 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid

2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid (PubChem CID 79261729) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
PubChem CID79261729
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cccc(C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-5-15(13(3,4)12(16)17)9-11-8-6-7-10(2)14-11/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyLNHNRJDUSNEJNX-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529576
2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
CID 82820939
2-[ethyl-(6-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62823687
2-N,2-diethyl-2-N-[(6-methyl-2-pyridinyl)methyl]butane-1,2-diamine
CID 79267944
2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55123424
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
2-[1,3-benzothiazol-2-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820956
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid (CID 79261729) is 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1cccc(C)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is LNHNRJDUSNEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-15(13(3,4)12(16)17)9-11-8-6-7-10(2)14-11/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79261729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).