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

C14H26N2O4 — CID 119348720

IUPAC2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
SMILESCC1CN(C(C(=O)NC(C)C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C14H26N2O4/c1-8(2)12(13(17)15-11(5)14(18)19)16-6-9(3)20-10(4)7-16/h8-12H,6-7H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyBDWVNDDAEYZHIH-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.71
Rot. Bonds5

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

2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid (PubChem CID 119348720) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
PubChem CID119348720
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
SMILESCC1CN(C(C(=O)NC(C)C(=O)O)C(C)C)CC(C)O1
InChIInChI=1S/C14H26N2O4/c1-8(2)12(13(17)15-11(5)14(18)19)16-6-9(3)20-10(4)7-16/h8-12H,6-7H2,1-5H3,(H,15,17)(H,18,19)
InChIKeyBDWVNDDAEYZHIH-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
4-[[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 125148753
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358573
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
CID 100842753
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methylbutanamide
CID 100630554
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822347
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822348
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylbutanoic acid
CID 104959290
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-2-pyrrolidin-1-ylbutyl]butanamide
CID 98728472
2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide
CID 60613958

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid (CID 119348720) is 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid is CC1CN(C(C(=O)NC(C)C(=O)O)C(C)C)CC(C)O1.
What is the InChIKey of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid?
The InChIKey is BDWVNDDAEYZHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-8(2)12(13(17)15-11(5)14(18)19)16-6-9(3)20-10(4)7-16/h8-12H,6-7H2,1-5H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid?
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 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]amino]propanoic acid is sourced from PubChem (CID 119348720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).