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

C14H20N2O3 — CID 115164730

IUPAC3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
SMILESCC(CC(=O)O)C(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C14H20N2O3/c1-10(8-12(17)18)13(19)16-9-14(2,3)11-4-6-15-7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBVIRNSLPFAGEGI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds6

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

3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid (PubChem CID 115164730) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
PubChem CID115164730
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
SMILESCC(CC(=O)O)C(=O)NCC(C)(C)c1ccncc1
InChIInChI=1S/C14H20N2O3/c1-10(8-12(17)18)13(19)16-9-14(2,3)11-4-6-15-7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBVIRNSLPFAGEGI-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic 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

2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylphenyl)propanamide
CID 166227449
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid (CID 115164730) is 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid is CC(CC(=O)O)C(=O)NCC(C)(C)c1ccncc1.
What is the InChIKey of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is BVIRNSLPFAGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(8-12(17)18)13(19)16-9-14(2,3)11-4-6-15-7-5-11/h4-7,10H,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid?
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115164730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).