2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid

C13H18N2O3 — CID 106752589

IUPAC2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccnc(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-5-15(13(3,4)12(17)18)11(16)10-6-7-14-9(2)8-10/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyATOYYZLCYGAXHK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.72
Rot. Bonds4

About 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 106752589) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID106752589
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccnc(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-5-15(13(3,4)12(17)18)11(16)10-6-7-14-9(2)8-10/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyATOYYZLCYGAXHK-UHFFFAOYSA-N
XLogP1.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 106752589) is 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1ccnc(C)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ATOYYZLCYGAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-5-15(13(3,4)12(17)18)11(16)10-6-7-14-9(2)8-10/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 106752589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).