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

C11H20N2O4 — CID 61187052

IUPAC4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)NCCCC(=O)O)CC(C)O1
InChIInChI=1S/C11H20N2O4/c1-8-6-13(7-9(2)17-8)11(16)12-5-3-4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFVIXZXALIQGESB-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds4

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

4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61187052) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61187052
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1CN(C(=O)NCCCC(=O)O)CC(C)O1
InChIInChI=1S/C11H20N2O4/c1-8-6-13(7-9(2)17-8)11(16)12-5-3-4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFVIXZXALIQGESB-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 43447293
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
4-(3-azabicyclo[3.3.1]nonane-3-carbonylamino)butanoic acid
CID 114196661
(2R,6S)-2,6-dimethyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]morpholine-4-carboxamide
CID 94031550
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
3-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]propanoic acid
CID 43466609
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926
4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022923
N-[2-(diethylsulfamoyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 56782565

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid (CID 61187052) is 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid is CC1CN(C(=O)NCCCC(=O)O)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is FVIXZXALIQGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-6-13(7-9(2)17-8)11(16)12-5-3-4-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61187052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).