3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid

C11H23N3O5S — CID 114399539

IUPAC3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
SMILESCCN1CCOC(CNS(=O)(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C11H23N3O5S/c1-3-14-6-7-19-10(9-14)8-12-20(17,18)13(2)5-4-11(15)16/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLKPWBDDCOZCWKY-UHFFFAOYSA-N
MW309.39 g/mol
LogP-1.05
Rot. Bonds8

About 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid

3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid (PubChem CID 114399539) has the molecular formula C11H23N3O5S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
PubChem CID114399539
Molecular FormulaC11H23N3O5S
Molecular Weight309.39 g/mol
Exact Mass309.14
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
SMILESCCN1CCOC(CNS(=O)(=O)N(C)CCC(=O)O)C1
InChIInChI=1S/C11H23N3O5S/c1-3-14-6-7-19-10(9-14)8-12-20(17,18)13(2)5-4-11(15)16/h10,12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLKPWBDDCOZCWKY-UHFFFAOYSA-N
XLogP-1.05
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
CID 79172488
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
CID 79165758

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid (CID 114399539) is 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid is CCN1CCOC(CNS(=O)(=O)N(C)CCC(=O)O)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid?
The InChIKey is LKPWBDDCOZCWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O5S/c1-3-14-6-7-19-10(9-14)8-12-20(17,18)13(2)5-4-11(15)16/h10,12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid?
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid has a molecular weight of 309.39 g/mol, XLogP of -1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid is sourced from PubChem (CID 114399539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).