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

C13H18N2O3 — CID 106752591

IUPAC3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccnc(C)c1
InChIInChI=1S/C13H18N2O3/c1-4-15(8-9(2)13(17)18)12(16)11-5-6-14-10(3)7-11/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyPMIPJWIKZFYCBO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds5

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

3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 106752591) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID106752591
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccnc(C)c1
InChIInChI=1S/C13H18N2O3/c1-4-15(8-9(2)13(17)18)12(16)11-5-6-14-10(3)7-11/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyPMIPJWIKZFYCBO-UHFFFAOYSA-N
XLogP1.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 106752591) is 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1ccnc(C)c1.
What is the InChIKey of 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is PMIPJWIKZFYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-15(8-9(2)13(17)18)12(16)11-5-6-14-10(3)7-11/h5-7,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid?
3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methylpyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 106752591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).