4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid

C10H12N2O3 — CID 810222

IUPAC4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
SMILESCc1cccnc1NC(=O)CCC(=O)O
InChIInChI=1S/C10H12N2O3/c1-7-3-2-6-11-10(7)12-8(13)4-5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyGVZPPQAPLNIQBF-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.19
Rot. Bonds4

About 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid

4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid (PubChem CID 810222) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
PubChem CID810222
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
SMILESCc1cccnc1NC(=O)CCC(=O)O
InChIInChI=1S/C10H12N2O3/c1-7-3-2-6-11-10(7)12-8(13)4-5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyGVZPPQAPLNIQBF-UHFFFAOYSA-N
XLogP1.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid (CID 810222) is 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid is Cc1cccnc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid?
The InChIKey is GVZPPQAPLNIQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-3-2-6-11-10(7)12-8(13)4-5-9(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid?
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 810222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).