(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid

C13H24N2O3 — CID 124835751

IUPAC(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)CC(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C13H24N2O3/c1-9-6-5-7-10(2)15(9)12(16)8-14(4)11(3)13(17)18/h9-11H,5-8H2,1-4H3,(H,17,18)/t9-,10-,11-/m1/s1
InChIKeyNGXLRAKBGURHFI-GMTAPVOTSA-N
MW256.35 g/mol
LogP1.18
Rot. Bonds4

About (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid

(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 124835751) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
PubChem CID124835751
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
SMILESC[C@H](C(=O)O)N(C)CC(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C13H24N2O3/c1-9-6-5-7-10(2)15(9)12(16)8-14(4)11(3)13(17)18/h9-11H,5-8H2,1-4H3,(H,17,18)/t9-,10-,11-/m1/s1
InChIKeyNGXLRAKBGURHFI-GMTAPVOTSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid (CID 124835751) is (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid is C[C@H](C(=O)O)N(C)CC(=O)N1[C@H](C)CCC[C@H]1C.
What is the InChIKey of (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is NGXLRAKBGURHFI-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-6-5-7-10(2)15(9)12(16)8-14(4)11(3)13(17)18/h9-11H,5-8H2,1-4H3,(H,17,18)/t9-,10-,11-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid?
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 124835751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).