4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid

C11H20N2O4 — CID 61201902

IUPAC4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCCC1CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-2-9-8-13(6-7-17-9)11(16)12-5-3-4-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyAUDYBQXLNGWPHJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds5

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

4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid (PubChem CID 61201902) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid
PubChem CID61201902
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid
SMILESCCC1CN(C(=O)NCCCC(=O)O)CCO1
InChIInChI=1S/C11H20N2O4/c1-2-9-8-13(6-7-17-9)11(16)12-5-3-4-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyAUDYBQXLNGWPHJ-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid 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

4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]butanoic acid
CID 55260125
2-[4-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 66433143
2-[4-(3,3,3-Trifluoropropylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434885
2-[4-(2,2,2-Trifluoroethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435796
4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl-methylamino]butanoic acid
CID 105918884
2-[4-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 105918916
2-[4-(4,4,4-Trifluorobutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 105945204
2-[4-(2,2-Difluoroethylcarbamoyl)morpholin-2-yl]acetic acid
CID 115408138
2-[4-(4,4,4-Trifluorobutylcarbamoyl)morpholin-2-yl]acetic acid
CID 115521176
2-[4-(5,5,5-Trifluoropentylcarbamoyl)morpholin-2-yl]acetic acid
CID 115521381
4-[[2,2-Difluoroethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 122021248
4-[[2,2,6-Trimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021975

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid (CID 61201902) is 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid is CCC1CN(C(=O)NCCCC(=O)O)CCO1.
What is the InChIKey of 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid?
The InChIKey is AUDYBQXLNGWPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-9-8-13(6-7-17-9)11(16)12-5-3-4-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid?
4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylmorpholine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61201902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).