6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid

C13H22N2O5 — CID 43447293

IUPAC6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
SMILESCC1CN(C(=O)NC(=O)CCCCC(=O)O)CC(C)O1
InChIInChI=1S/C13H22N2O5/c1-9-7-15(8-10(2)20-9)13(19)14-11(16)5-3-4-6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyXKSZUKUOVRLYAJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.98
Rot. Bonds5

About 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid

6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid (PubChem CID 43447293) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
PubChem CID43447293
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
SMILESCC1CN(C(=O)NC(=O)CCCCC(=O)O)CC(C)O1
InChIInChI=1S/C13H22N2O5/c1-9-7-15(8-10(2)20-9)13(19)14-11(16)5-3-4-6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyXKSZUKUOVRLYAJ-UHFFFAOYSA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 104959235
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 43585543
6-[(2-cyanomorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 79680359
6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
CID 43581886
5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63621909
3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
CID 43466609
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid (CID 43447293) is 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid is CC1CN(C(=O)NC(=O)CCCCC(=O)O)CC(C)O1.
What is the InChIKey of 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid?
The InChIKey is XKSZUKUOVRLYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9-7-15(8-10(2)20-9)13(19)14-11(16)5-3-4-6-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid?
6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 43447293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).