2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid

C15H30N2O3 — CID 106806024

IUPAC2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
SMILESCCC1COC(C)CN1CCCC(CC)(NC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-13-11-20-12(3)10-17(13)9-7-8-15(6-2,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyBDDRBTUMXKWHIB-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.72
Rot. Bonds8

About 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid

2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid (PubChem CID 106806024) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
PubChem CID106806024
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
SMILESCCC1COC(C)CN1CCCC(CC)(NC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-5-13-11-20-12(3)10-17(13)9-7-8-15(6-2,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyBDDRBTUMXKWHIB-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid (CID 106806024) is 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid is CCC1COC(C)CN1CCCC(CC)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid?
The InChIKey is BDDRBTUMXKWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-13-11-20-12(3)10-17(13)9-7-8-15(6-2,16-4)14(18)19/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid?
2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).