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

C12H22N2O3 — CID 83022684

IUPAC3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCC1CCCC(C)N1NC(=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-6-5-7-9(2)14(8)13-10(15)12(3,4)11(16)17/h8-9H,5-7H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyGBEYRYVTPVLOFT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.39
Rot. Bonds3

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

3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 83022684) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID83022684
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCC1CCCC(C)N1NC(=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-6-5-7-9(2)14(8)13-10(15)12(3,4)11(16)17/h8-9H,5-7H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyGBEYRYVTPVLOFT-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid (CID 83022684) is 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid is CC1CCCC(C)N1NC(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is GBEYRYVTPVLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-6-5-7-9(2)14(8)13-10(15)12(3,4)11(16)17/h8-9H,5-7H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.39, 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]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 83022684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).