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

C14H20N2O3 — CID 115165229

IUPAC2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
SMILESCC(CC(=O)NCC(C)(C)c1cccnc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(13(18)19)7-12(17)16-9-14(2,3)11-5-4-6-15-8-11/h4-6,8,10H,7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCUPZKGSXFQBLLS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.59
Rot. Bonds6

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

2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid (PubChem CID 115165229) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
PubChem CID115165229
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
SMILESCC(CC(=O)NCC(C)(C)c1cccnc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(13(18)19)7-12(17)16-9-14(2,3)11-5-4-6-15-8-11/h4-6,8,10H,7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyCUPZKGSXFQBLLS-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

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Related Compounds

2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid (CID 115165229) is 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid is CC(CC(=O)NCC(C)(C)c1cccnc1)C(=O)O.
What is the InChIKey of 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid?
The InChIKey is CUPZKGSXFQBLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(13(18)19)7-12(17)16-9-14(2,3)11-5-4-6-15-8-11/h4-6,8,10H,7,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid?
2-methyl-4-[(2-methyl-2-pyridin-3-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 2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115165229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).