2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide

C12H24N3O3+ — CID 8898882

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H23N3O3/c1-8(2)13-12(17)14-11(16)7-15-5-9(3)18-10(4)6-15/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)/p+1/t9-,10-/m0/s1
InChIKeyHNOHIGPXHKOVKG-UWVGGRQHSA-O
MW258.34 g/mol
LogP-1.09
Rot. Bonds3

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide

2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 8898882) has the molecular formula C12H24N3O3+ and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID8898882
Molecular FormulaC12H24N3O3+
Molecular Weight258.34 g/mol
Exact Mass258.18
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H23N3O3/c1-8(2)13-12(17)14-11(16)7-15-5-9(3)18-10(4)6-15/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)/p+1/t9-,10-/m0/s1
InChIKeyHNOHIGPXHKOVKG-UWVGGRQHSA-O
XLogP-1.09
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2446990
2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2653132
N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide
CID 8903819
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988702
2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988700
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8528487
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8686861
2-(4-methylpiperidin-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 8543273
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8743173
2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8742670
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2238896
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2474971

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 8898882) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is HNOHIGPXHKOVKG-UWVGGRQHSA-O. The full InChI is InChI=1S/C12H23N3O3/c1-8(2)13-12(17)14-11(16)7-15-5-9(3)18-10(4)6-15/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)/p+1/t9-,10-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 258.34 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 8898882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).