3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

C12H18N2O2 — CID 82318925

IUPAC3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ncccc1C
InChIInChI=1S/C12H18N2O2/c1-4-14(8-10(3)12(15)16)11-9(2)6-5-7-13-11/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyCEYZIFWLULRDHJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds5

About 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 82318925) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID82318925
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ncccc1C
InChIInChI=1S/C12H18N2O2/c1-4-14(8-10(3)12(15)16)11-9(2)6-5-7-13-11/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyCEYZIFWLULRDHJ-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319922
3-[hexyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318329
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
3-[ethyl-(3-methyl-2-pyridinyl)amino]propanethioamide
CID 62253148
3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
CID 82318176
3-[(2-chloro-3-pyridinyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82317724
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
3-(N-heptyl-2,6-dimethylanilino)-2-methylpropanoic acid
CID 82319077
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 103203754
3-[3-ethoxypropyl-(3-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 120520296

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (CID 82318925) is 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1ncccc1C.
What is the InChIKey of 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is CEYZIFWLULRDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(8-10(3)12(15)16)11-9(2)6-5-7-13-11/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82318925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).