3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid

C15H28N2O3 — CID 95294893

IUPAC3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
SMILESC[C@@H]1CN(CC2CCN(CCC(=O)O)CC2)C[C@@H](C)O1
InChIInChI=1S/C15H28N2O3/c1-12-9-17(10-13(2)20-12)11-14-3-6-16(7-4-14)8-5-15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyWVSZSFJGVGEKEF-CHWSQXEVSA-N
MW284.40 g/mol
LogP1.28
Rot. Bonds5

About 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid

3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid (PubChem CID 95294893) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
PubChem CID95294893
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid
SMILESC[C@@H]1CN(CC2CCN(CCC(=O)O)CC2)C[C@@H](C)O1
InChIInChI=1S/C15H28N2O3/c1-12-9-17(10-13(2)20-12)11-14-3-6-16(7-4-14)8-5-15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyWVSZSFJGVGEKEF-CHWSQXEVSA-N
XLogP1.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid (CID 95294893) is 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid is C[C@@H]1CN(CC2CCN(CCC(=O)O)CC2)C[C@@H](C)O1.
What is the InChIKey of 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid?
The InChIKey is WVSZSFJGVGEKEF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-9-17(10-13(2)20-12)11-14-3-6-16(7-4-14)8-5-15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid?
3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 95294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).