2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid

C13H18N2O4 — CID 105063162

IUPAC2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccncc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-5-15(13(2,3)12(17)18)11(16)9-6-7-14-8-10(9)19-4/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyLCSMVCFFNLZZDO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.42
Rot. Bonds5

About 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 105063162) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID105063162
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)c1ccncc1OC)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-5-15(13(2,3)12(17)18)11(16)9-6-7-14-8-10(9)19-4/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyLCSMVCFFNLZZDO-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 105063162) is 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)c1ccncc1OC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is LCSMVCFFNLZZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-15(13(2,3)12(17)18)11(16)9-6-7-14-8-10(9)19-4/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 105063162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).