3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid

C10H20N2O6S — CID 114462997

IUPAC3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C10H20N2O6S/c1-4-5-8(6-9(13)14)11-19(16,17)12-10(15)18-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyDMRJNWZEXLVEPB-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.60
Rot. Bonds8

About 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid

3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid (PubChem CID 114462997) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid.

Molecular Properties

Compound Name3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
PubChem CID114462997
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
SMILESCCCC(CC(=O)O)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C10H20N2O6S/c1-4-5-8(6-9(13)14)11-19(16,17)12-10(15)18-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyDMRJNWZEXLVEPB-UHFFFAOYSA-N
XLogP0.60
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114463001
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid?
The IUPAC name of 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid (CID 114462997) is 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid.
What is the SMILES notation for 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid?
The canonical SMILES for 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid is CCCC(CC(=O)O)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid?
The InChIKey is DMRJNWZEXLVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-4-5-8(6-9(13)14)11-19(16,17)12-10(15)18-7(2)3/h7-8,11H,4-6H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid?
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid has a molecular weight of 296.35 g/mol, XLogP of 0.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid is sourced from PubChem (CID 114462997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).