2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid

C16H30N2O4 — CID 128966724

IUPAC2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC(C)CC(C)CC(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C16H30N2O4/c1-12(2)7-13(3)8-15(19)18-5-6-22-14(10-18)9-17(4)11-16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyWUHFRZQELJGGDL-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.30
Rot. Bonds8

About 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 128966724) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID128966724
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCC(C)CC(C)CC(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C16H30N2O4/c1-12(2)7-13(3)8-15(19)18-5-6-22-14(10-18)9-17(4)11-16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21)
InChIKeyWUHFRZQELJGGDL-UHFFFAOYSA-N
XLogP1.30
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[(2S)-4-hexanoylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 129330308
2-[[(2R)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324175
2-[[(2S)-4-(2-cyclohexylacetyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129324174
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[methyl-[[4-[[1-(2-methylpropyl)cyclobutyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122006153
2-[methyl-[[4-[(4-propan-2-ylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122007160
2-[methyl-[[(2R)-4-(4-phenoxybutanoyl)morpholin-2-yl]methyl]amino]acetic acid
CID 129473594
1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114876906
2-[methyl-[[(2S)-4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
CID 129475590
2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606871
2-[methyl-[[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 128974742

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 128966724) is 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid is CC(C)CC(C)CC(=O)N1CCOC(CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is WUHFRZQELJGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-12(2)7-13(3)8-15(19)18-5-6-22-14(10-18)9-17(4)11-16(20)21/h12-14H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 314.43 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethylhexanoyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 128966724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).