2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid

C9H10N2O3 — CID 114898162

IUPAC2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
SMILESCC(C(=O)O)C(=O)Nc1ccncc1
InChIInChI=1S/C9H10N2O3/c1-6(9(13)14)8(12)11-7-2-4-10-5-3-7/h2-6H,1H3,(H,13,14)(H,10,11,12)
InChIKeyYWMJBNPOUGEUEB-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.74
Rot. Bonds3

About 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid

2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid (PubChem CID 114898162) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
PubChem CID114898162
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid
SMILESCC(C(=O)O)C(=O)Nc1ccncc1
InChIInChI=1S/C9H10N2O3/c1-6(9(13)14)8(12)11-7-2-4-10-5-3-7/h2-6H,1H3,(H,13,14)(H,10,11,12)
InChIKeyYWMJBNPOUGEUEB-UHFFFAOYSA-N
XLogP0.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
3-(4-acetamidoanilino)-2-methyl-3-oxopropanoic acid
CID 114897099
(2R)-2-amino-N-pyridin-4-ylpropanamide
CID 78972247
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
3-(3-iodoanilino)-2-methyl-3-oxopropanoic acid
CID 114897091
2-methyl-3-oxo-3-(thiophen-3-ylamino)propanoic acid
CID 114898720
3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
2-cyano-3-methyl-N-pyridin-4-ylbutanamide
CID 55206630
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
3-(3-iodo-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114897853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid (CID 114898162) is 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid is CC(C(=O)O)C(=O)Nc1ccncc1.
What is the InChIKey of 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid?
The InChIKey is YWMJBNPOUGEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6(9(13)14)8(12)11-7-2-4-10-5-3-7/h2-6H,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid?
2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-(pyridin-4-ylamino)propanoic acid is sourced from PubChem (CID 114898162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).