1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid

C12H23N3O5S — CID 60951723

IUPAC1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid
SMILESCCCCN(CC(N)=O)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H23N3O5S/c1-2-3-6-15(9-11(13)16)21(19,20)14-7-4-10(5-8-14)12(17)18/h10H,2-9H2,1H3,(H2,13,16)(H,17,18)
InChIKeyFFQOYYAOBJHZAL-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.38
Rot. Bonds8

About 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid

1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid (PubChem CID 60951723) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid
PubChem CID60951723
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Name1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid
SMILESCCCCN(CC(N)=O)S(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H23N3O5S/c1-2-3-6-15(9-11(13)16)21(19,20)14-7-4-10(5-8-14)12(17)18/h10H,2-9H2,1H3,(H2,13,16)(H,17,18)
InChIKeyFFQOYYAOBJHZAL-UHFFFAOYSA-N
XLogP-0.38
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
1-[2-(2-Methylpropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 22322457
1-[2-Oxo-2-(propylamino)ethyl]piperidine-4-carboxylic acid
CID 22322461
1-(2-Amino-2-oxoethyl)piperidine-4-carboxylic acid
CID 22322462
1-[(Butylcarbamoyl)methyl]piperidine-4-carboxylic acid
CID 22322736
1-(2-Acetamidoacetyl)piperidine-4-carboxylic acid
CID 24697151
1-(2-(Methylamino)-2-oxoethyl)piperidine-4-carboxylic acid
CID 39240293
1-(2-(Tert-butylamino)-2-oxoethyl)piperidine-4-carboxylic acid
CID 39346554
1-[2-Amino-1-(diethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 67364674
1-[2-Amino-1-(dimethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 67364676
1-(2-Amino-2-oxoethyl)-1-methylpiperidin-1-ium-4-carboxylic acid
CID 172499543

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid (CID 60951723) is 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid is CCCCN(CC(N)=O)S(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is FFQOYYAOBJHZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-2-3-6-15(9-11(13)16)21(19,20)14-7-4-10(5-8-14)12(17)18/h10H,2-9H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid?
1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 321.40 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-oxoethyl)-butylsulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60951723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).