2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid

C14H23N3O5S — CID 122060999

IUPAC2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(NCC(C)(O)C(=O)O)nc1
InChIInChI=1S/C14H23N3O5S/c1-4-10(5-2)17-23(21,22)11-6-7-12(15-8-11)16-9-14(3,20)13(18)19/h6-8,10,17,20H,4-5,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyLGZXWOBZLQKEIC-UHFFFAOYSA-N
MW345.42 g/mol
LogP0.80
Rot. Bonds9

About 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 122060999) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
PubChem CID122060999
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(NCC(C)(O)C(=O)O)nc1
InChIInChI=1S/C14H23N3O5S/c1-4-10(5-2)17-23(21,22)11-6-7-12(15-8-11)16-9-14(3,20)13(18)19/h6-8,10,17,20H,4-5,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyLGZXWOBZLQKEIC-UHFFFAOYSA-N
XLogP0.80
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122058332
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
CID 106347089
3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122059482
2-[[6-(ethylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62147681
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
CID 56585243
2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122064922
2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
CID 122071580
5-methyl-1-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 122106763
6-hydrazinyl-N-octan-4-ylpyridine-3-sulfonamide
CID 106025657
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (CID 122060999) is 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is CCC(CC)NS(=O)(=O)c1ccc(NCC(C)(O)C(=O)O)nc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is LGZXWOBZLQKEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-4-10(5-2)17-23(21,22)11-6-7-12(15-8-11)16-9-14(3,20)13(18)19/h6-8,10,17,20H,4-5,9H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 345.42 g/mol, XLogP of 0.80, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 122060999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).