4-methyl-2-(propylsulfonylamino)pentanoic acid

C9H19NO4S — CID 16772011

IUPAC4-methyl-2-(propylsulfonylamino)pentanoic acid
SMILESCCCS(=O)(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-5-15(13,14)10-8(9(11)12)6-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYLMFVKALSCMEKL-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.82
Rot. Bonds7

About 4-methyl-2-(propylsulfonylamino)pentanoic acid

4-methyl-2-(propylsulfonylamino)pentanoic acid (PubChem CID 16772011) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-methyl-2-(propylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(propylsulfonylamino)pentanoic acid
PubChem CID16772011
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-methyl-2-(propylsulfonylamino)pentanoic acid
SMILESCCCS(=O)(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C9H19NO4S/c1-4-5-15(13,14)10-8(9(11)12)6-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYLMFVKALSCMEKL-UHFFFAOYSA-N
XLogP0.82
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylsulfonylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(propylsulfonylamino)pentanoic acid (CID 16772011) is 4-methyl-2-(propylsulfonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(propylsulfonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(propylsulfonylamino)pentanoic acid is CCCS(=O)(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(propylsulfonylamino)pentanoic acid?
The InChIKey is YLMFVKALSCMEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-5-15(13,14)10-8(9(11)12)6-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-2-(propylsulfonylamino)pentanoic acid?
4-methyl-2-(propylsulfonylamino)pentanoic acid has a molecular weight of 237.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylsulfonylamino)pentanoic acid is sourced from PubChem (CID 16772011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).