2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid

C11H24N2O4S — CID 79668616

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-6-13(8-11(3,4)7-12)18(16,17)9(2)10(14)15/h9H,5-8,12H2,1-4H3,(H,14,15)
InChIKeyVYZAELPNCUJBKH-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.49
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid

2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid (PubChem CID 79668616) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
PubChem CID79668616
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-5-6-13(8-11(3,4)7-12)18(16,17)9(2)10(14)15/h9H,5-8,12H2,1-4H3,(H,14,15)
InChIKeyVYZAELPNCUJBKH-UHFFFAOYSA-N
XLogP0.49
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
CID 114465106
2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
CID 79390632
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
2-[butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]propanoic acid
CID 79661326
2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101618
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
2-[bis[3-(dimethylamino)propyl]sulfamoyl]propanoic acid
CID 61457737
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
CID 79661269
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid (CID 79668616) is 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid is CCCN(CC(C)(C)CN)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid?
The InChIKey is VYZAELPNCUJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-6-13(8-11(3,4)7-12)18(16,17)9(2)10(14)15/h9H,5-8,12H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid?
2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid is sourced from PubChem (CID 79668616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).