2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid

C10H21N3O5S — CID 70945469

IUPAC2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H21N3O5S/c11-9(10(14)15)8-19(16,17)12-2-1-3-13-4-6-18-7-5-13/h9,12H,1-8,11H2,(H,14,15)
InChIKeyIIPFSUCIXILGCS-UHFFFAOYSA-N
MW295.36 g/mol
LogP-1.96
Rot. Bonds8

About 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid

2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid (PubChem CID 70945469) has the molecular formula C10H21N3O5S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid
PubChem CID70945469
Molecular FormulaC10H21N3O5S
Molecular Weight295.36 g/mol
Exact Mass295.12
IUPAC Name2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid
SMILESNC(CS(=O)(=O)NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H21N3O5S/c11-9(10(14)15)8-19(16,17)12-2-1-3-13-4-6-18-7-5-13/h9,12H,1-8,11H2,(H,14,15)
InChIKeyIIPFSUCIXILGCS-UHFFFAOYSA-N
XLogP-1.96
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
CID 67154681
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid (CID 70945469) is 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid is NC(CS(=O)(=O)NCCCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid?
The InChIKey is IIPFSUCIXILGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S/c11-9(10(14)15)8-19(16,17)12-2-1-3-13-4-6-18-7-5-13/h9,12H,1-8,11H2,(H,14,15).
What are the key properties of 2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid?
2-amino-3-(3-morpholin-4-ylpropylsulfamoyl)propanoic acid has a molecular weight of 295.36 g/mol, XLogP of -1.96, 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-ylpropylsulfamoyl)propanoic acid is sourced from PubChem (CID 70945469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).