2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid

C15H28N2O4 — CID 119358573

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
SMILESCC1CN(C(C(=O)N(C)C(C)C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C15H28N2O4/c1-9(2)13(14(18)16(6)12(5)15(19)20)17-7-10(3)21-11(4)8-17/h9-13H,7-8H2,1-6H3,(H,19,20)
InChIKeyMUOYMIKVFYYZAT-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.05
Rot. Bonds5

About 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid

2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid (PubChem CID 119358573) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
PubChem CID119358573
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
SMILESCC1CN(C(C(=O)N(C)C(C)C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C15H28N2O4/c1-9(2)13(14(18)16(6)12(5)15(19)20)17-7-10(3)21-11(4)8-17/h9-13H,7-8H2,1-6H3,(H,19,20)
InChIKeyMUOYMIKVFYYZAT-UHFFFAOYSA-N
XLogP1.05
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid (CID 119358573) is 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid is CC1CN(C(C(=O)N(C)C(C)C(=O)O)C(C)C)CC(C)O1.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid?
The InChIKey is MUOYMIKVFYYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-9(2)13(14(18)16(6)12(5)15(19)20)17-7-10(3)21-11(4)8-17/h9-13H,7-8H2,1-6H3,(H,19,20).
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid?
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).