4-(pyrrolidin-1-ylsulfonylamino)butanoic acid

C8H16N2O4S — CID 28783603

IUPAC4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16N2O4S/c11-8(12)4-3-5-9-15(13,14)10-6-1-2-7-10/h9H,1-7H2,(H,11,12)
InChIKeyWVDVUSPTVPHEEX-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.22
Rot. Bonds6

About 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid

4-(pyrrolidin-1-ylsulfonylamino)butanoic acid (PubChem CID 28783603) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
PubChem CID28783603
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16N2O4S/c11-8(12)4-3-5-9-15(13,14)10-6-1-2-7-10/h9H,1-7H2,(H,11,12)
InChIKeyWVDVUSPTVPHEEX-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid (CID 28783603) is 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid is O=C(O)CCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is WVDVUSPTVPHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c11-8(12)4-3-5-9-15(13,14)10-6-1-2-7-10/h9H,1-7H2,(H,11,12).
What are the key properties of 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
4-(pyrrolidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 28783603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).