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

C11H20N2O4 — CID 61203120

IUPAC4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1(C)CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-11(2)8-13(6-7-17-11)10(16)12-5-3-4-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyDMKGSVLTKIAKPM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds4

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

4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61203120) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61203120
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCC1(C)CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-11(2)8-13(6-7-17-11)10(16)12-5-3-4-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyDMKGSVLTKIAKPM-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid (CID 61203120) is 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid is CC1(C)CN(C(=O)NCCCC(=O)O)CCO1.
What is the InChIKey of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is DMKGSVLTKIAKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2)8-13(6-7-17-11)10(16)12-5-3-4-9(14)15/h3-8H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid?
4-[(2,2-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-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61203120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).