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

C15H28N2O3 — CID 60833359

IUPAC3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CCN(C(=O)CN(CCC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-12-5-8-16(9-6-12)13(18)11-17(15(2,3)4)10-7-14(19)20/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyLBWMEHRBYCKUFG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds5

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

3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (PubChem CID 60833359) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
PubChem CID60833359
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
SMILESCC1CCN(C(=O)CN(CCC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-12-5-8-16(9-6-12)13(18)11-17(15(2,3)4)10-7-14(19)20/h12H,5-11H2,1-4H3,(H,19,20)
InChIKeyLBWMEHRBYCKUFG-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid (CID 60833359) is 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is CC1CCN(C(=O)CN(CCC(=O)O)C(C)(C)C)CC1.
What is the InChIKey of 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
The InChIKey is LBWMEHRBYCKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-5-8-16(9-6-12)13(18)11-17(15(2,3)4)10-7-14(19)20/h12H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid?
3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60833359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).