3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

C12H18N2O2 — CID 66279259

IUPAC3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(C)cn1
InChIInChI=1S/C12H18N2O2/c1-4-14(8-10(3)12(15)16)11-6-5-9(2)7-13-11/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyRBFKYNAOBIPFPO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds5

About 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 66279259) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID66279259
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ccc(C)cn1
InChIInChI=1S/C12H18N2O2/c1-4-14(8-10(3)12(15)16)11-6-5-9(2)7-13-11/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyRBFKYNAOBIPFPO-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-[carboxymethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82317128
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 63208615
2-methyl-3-[(5-methyl-2-pyridinyl)-(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82319778
3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid
CID 62853490
3-[2-methylpropyl-(5-methyl-2-pyridinyl)amino]propanoic acid
CID 82319305
3-[(5-chloro-2-pyridinyl)-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82319223
2-methyl-3-[(5-methyl-2-pyridinyl)-(thiophene-2-carbonyl)amino]propanoic acid
CID 82321548
3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318925
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
N'-ethyl-N'-(5-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 62587829
3-[(5-chloro-2-pyridinyl)-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82320041
3-[3-carboxypropyl-(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82320174

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (CID 66279259) is 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1ccc(C)cn1.
What is the InChIKey of 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is RBFKYNAOBIPFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(8-10(3)12(15)16)11-6-5-9(2)7-13-11/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
3-[ethyl-(5-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-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66279259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).