2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid

C13H24N2O3 — CID 55007747

IUPAC2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CCN(C(=O)CN(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-4-6-15(7-5-10)12(16)9-14(3)8-11(2)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyUCOYTAUREVGSSH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.90
Rot. Bonds5

About 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 55007747) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID55007747
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CCN(C(=O)CN(C)CC(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-4-6-15(7-5-10)12(16)9-14(3)8-11(2)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyUCOYTAUREVGSSH-UHFFFAOYSA-N
XLogP0.90
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (CID 55007747) is 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is CC1CCN(C(=O)CN(C)CC(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is UCOYTAUREVGSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-4-6-15(7-5-10)12(16)9-14(3)8-11(2)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 55007747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).