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

C13H21N3O4S — CID 122058332

IUPAC2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(NC(C)C(=O)O)nc1
InChIInChI=1S/C13H21N3O4S/c1-4-10(5-2)16-21(19,20)11-6-7-12(14-8-11)15-9(3)13(17)18/h6-10,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyMEAQLCXXDDKFLC-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.43
Rot. Bonds8

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

2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 122058332) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
PubChem CID122058332
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
SMILESCCC(CC)NS(=O)(=O)c1ccc(NC(C)C(=O)O)nc1
InChIInChI=1S/C13H21N3O4S/c1-4-10(5-2)16-21(19,20)11-6-7-12(14-8-11)15-9(3)13(17)18/h6-10,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)
InChIKeyMEAQLCXXDDKFLC-UHFFFAOYSA-N
XLogP1.43
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
2-methyl-3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122064922
N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
CID 56585243
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
3-[methyl-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122059482
2-[[6-(ethylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62147681
(2S)-2-[(6-methylsulfonyl-3-pyridinyl)sulfonylamino]propanoic acid
CID 120660271
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
2-[(5-amino-2-pyridinyl)amino]propanoic acid
CID 117044543
(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069805
6-(propan-2-ylamino)-N-propylpyridine-3-sulfonamide
CID 98016847
3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
CID 106347089

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid (CID 122058332) is 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is CCC(CC)NS(=O)(=O)c1ccc(NC(C)C(=O)O)nc1.
What is the InChIKey of 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is MEAQLCXXDDKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-10(5-2)16-21(19,20)11-6-7-12(14-8-11)15-9(3)13(17)18/h6-10,16H,4-5H2,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid?
2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 315.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 122058332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).