2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid

C9H19N3O5S — CID 67154819

IUPAC2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
SMILESNC(CCN(C1CCOCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H19N3O5S/c10-8(9(13)14)1-4-12(18(11,15)16)7-2-5-17-6-3-7/h7-8H,1-6,10H2,(H,13,14)(H2,11,15,16)
InChIKeyLRKGGVCYSDBOAO-UHFFFAOYSA-N
MW281.33 g/mol
LogP-1.53
Rot. Bonds6

About 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid

2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid (PubChem CID 67154819) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
PubChem CID67154819
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
SMILESNC(CCN(C1CCOCC1)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C9H19N3O5S/c10-8(9(13)14)1-4-12(18(11,15)16)7-2-5-17-6-3-7/h7-8H,1-6,10H2,(H,13,14)(H2,11,15,16)
InChIKeyLRKGGVCYSDBOAO-UHFFFAOYSA-N
XLogP-1.53
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
CID 67154218
2-Amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
CID 67154221
(2S)-2-amino-4-(1,4-oxazepan-4-ylsulfonylamino)butanoic acid
CID 67154361
2-Amino-4-(1,4-oxazepan-4-ylsulfonylamino)butanoic acid
CID 67154362
(2S)-2-amino-4-(oxan-4-ylsulfamoylamino)butanoic acid
CID 67154818
(2S)-2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
CID 67154821
2-Amino-4-(oxan-4-ylsulfamoylamino)butanoic acid
CID 70945385
(2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid
CID 70945589
2-Amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid
CID 70945591
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
(2S)-2-amino-4-[methyl(oxan-4-ylmethylsulfamoyl)amino]butanoic acid
CID 70945759

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid (CID 67154819) is 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid is NC(CCN(C1CCOCC1)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid?
The InChIKey is LRKGGVCYSDBOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O5S/c10-8(9(13)14)1-4-12(18(11,15)16)7-2-5-17-6-3-7/h7-8H,1-6,10H2,(H,13,14)(H2,11,15,16).
What are the key properties of 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid?
2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid has a molecular weight of 281.33 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid is sourced from PubChem (CID 67154819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).