4-(2-ethylsulfonylethylamino)butanoic acid

C8H17NO4S — CID 43808020

IUPAC4-(2-ethylsulfonylethylamino)butanoic acid
SMILESCCS(=O)(=O)CCNCCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-2-14(12,13)7-6-9-5-3-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyYPBNXDXRYJKSEV-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.12
Rot. Bonds8

About 4-(2-ethylsulfonylethylamino)butanoic acid

4-(2-ethylsulfonylethylamino)butanoic acid (PubChem CID 43808020) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylsulfonylethylamino)butanoic acid
PubChem CID43808020
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name4-(2-ethylsulfonylethylamino)butanoic acid
SMILESCCS(=O)(=O)CCNCCCC(=O)O
InChIInChI=1S/C8H17NO4S/c1-2-14(12,13)7-6-9-5-3-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyYPBNXDXRYJKSEV-UHFFFAOYSA-N
XLogP-0.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-ethylsulfonylethylamino)butanoic acid?
The IUPAC name of 4-(2-ethylsulfonylethylamino)butanoic acid (CID 43808020) is 4-(2-ethylsulfonylethylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethylsulfonylethylamino)butanoic acid?
The canonical SMILES for 4-(2-ethylsulfonylethylamino)butanoic acid is CCS(=O)(=O)CCNCCCC(=O)O.
What is the InChIKey of 4-(2-ethylsulfonylethylamino)butanoic acid?
The InChIKey is YPBNXDXRYJKSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-2-14(12,13)7-6-9-5-3-4-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 4-(2-ethylsulfonylethylamino)butanoic acid?
4-(2-ethylsulfonylethylamino)butanoic acid has a molecular weight of 223.29 g/mol, XLogP of -0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethylamino)butanoic acid is sourced from PubChem (CID 43808020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).