5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid

C14H28N2O3 — CID 106806515

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1C[C@@H](C)O[C@@H](C)C1)(NC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-14(15-4,13(17)18)7-6-8-16-9-11(2)19-12(3)10-16/h11-12,15H,5-10H2,1-4H3,(H,17,18)/t11-,12+,14?
InChIKeyQICYPLWPTDINOE-ONXXMXGDSA-N
MW272.39 g/mol
LogP1.33
Rot. Bonds7

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106806515) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106806515
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1C[C@@H](C)O[C@@H](C)C1)(NC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-14(15-4,13(17)18)7-6-8-16-9-11(2)19-12(3)10-16/h11-12,15H,5-10H2,1-4H3,(H,17,18)/t11-,12+,14?
InChIKeyQICYPLWPTDINOE-ONXXMXGDSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid (CID 106806515) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid is CCC(CCCN1C[C@@H](C)O[C@@H](C)C1)(NC)C(=O)O.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is QICYPLWPTDINOE-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-14(15-4,13(17)18)7-6-8-16-9-11(2)19-12(3)10-16/h11-12,15H,5-10H2,1-4H3,(H,17,18)/t11-,12+,14?.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).