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

C10H18N2O3 — CID 83024199

IUPAC3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
SMILESCC1CCCC(C)N1NC(=O)CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-4-3-5-8(2)12(7)11-9(13)6-10(14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQCJSJULQHNHCMX-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.76
Rot. Bonds3

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

3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid (PubChem CID 83024199) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
PubChem CID83024199
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
SMILESCC1CCCC(C)N1NC(=O)CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-4-3-5-8(2)12(7)11-9(13)6-10(14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQCJSJULQHNHCMX-UHFFFAOYSA-N
XLogP0.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.76
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]-3-oxopropanoic acid?
The IUPAC name of 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid (CID 83024199) is 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid is CC1CCCC(C)N1NC(=O)CC(=O)O.
What is the InChIKey of 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid?
The InChIKey is QCJSJULQHNHCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-4-3-5-8(2)12(7)11-9(13)6-10(14)15/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid?
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.76, 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]-3-oxopropanoic acid is sourced from PubChem (CID 83024199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).