2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid

C10H22N4O5S — CID 67154681

IUPAC2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
SMILESNC(CN(CCCN1CCOCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H22N4O5S/c11-9(10(15)16)8-14(20(12,17)18)3-1-2-13-4-6-19-7-5-13/h9H,1-8,11H2,(H,15,16)(H2,12,17,18)
InChIKeyAAXKJOURWGWASR-UHFFFAOYSA-N
MW310.38 g/mol
LogP-2.37
Rot. Bonds8

About 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid

2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid (PubChem CID 67154681) has the molecular formula C10H22N4O5S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
PubChem CID67154681
Molecular FormulaC10H22N4O5S
Molecular Weight310.38 g/mol
Exact Mass310.13
IUPAC Name2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
SMILESNC(CN(CCCN1CCOCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C10H22N4O5S/c11-9(10(15)16)8-14(20(12,17)18)3-1-2-13-4-6-19-7-5-13/h9H,1-8,11H2,(H,15,16)(H2,12,17,18)
InChIKeyAAXKJOURWGWASR-UHFFFAOYSA-N
XLogP-2.37
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
CID 87289653
2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid
CID 70945469
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
(2S)-2-amino-4-[carboxy(morpholin-4-yl)amino]butanoic acid
CID 174670355
N-carbamoyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 144630529
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82326743
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid (CID 67154681) is 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid is NC(CN(CCCN1CCOCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid?
The InChIKey is AAXKJOURWGWASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O5S/c11-9(10(15)16)8-14(20(12,17)18)3-1-2-13-4-6-19-7-5-13/h9H,1-8,11H2,(H,15,16)(H2,12,17,18).
What are the key properties of 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid?
2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid has a molecular weight of 310.38 g/mol, XLogP of -2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid is sourced from PubChem (CID 67154681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).