3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid

C11H20N2O3 — CID 114898893

IUPAC3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-8(2)13(7)12-10(14)9(3)11(15)16/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyGKRKYBBEIJOPBA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.00
Rot. Bonds3

About 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid

3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid (PubChem CID 114898893) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid
PubChem CID114898893
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NN1C(C)CCCC1C
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-8(2)13(7)12-10(14)9(3)11(15)16/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyGKRKYBBEIJOPBA-UHFFFAOYSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-Dimethylpiperidin-1-yl)amino]propanoic acid
CID 83013884
3-[(2,6-Dimethylpiperidin-1-yl)amino]-2-methylpropanoic acid
CID 83013890
3-[(2,6-Dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 83022684
1-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 83022861
2,2-Dimethyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83023031
3-Oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
3-[(2,6-Dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
2-[(2,6-Dimethylpiperidin-1-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 113534236
2-Methyl-3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 114898892
3,3-Dimethyl-2-(piperidin-1-ylcarbamoyl)butanoic acid
CID 116537409

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid (CID 114898893) is 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)NN1C(C)CCCC1C.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is GKRKYBBEIJOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-4-6-8(2)13(7)12-10(14)9(3)11(15)16/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114898893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).