4-[2-(methanesulfonamido)ethylamino]butanoic acid

C7H16N2O4S — CID 43545963

IUPAC4-[2-(methanesulfonamido)ethylamino]butanoic acid
SMILESCS(=O)(=O)NCCNCCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-6-5-8-4-2-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyUBKHCHHJAZBWOM-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.01
Rot. Bonds8

About 4-[2-(methanesulfonamido)ethylamino]butanoic acid

4-[2-(methanesulfonamido)ethylamino]butanoic acid (PubChem CID 43545963) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethylamino]butanoic acid
PubChem CID43545963
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name4-[2-(methanesulfonamido)ethylamino]butanoic acid
SMILESCS(=O)(=O)NCCNCCCC(=O)O
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)9-6-5-8-4-2-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11)
InChIKeyUBKHCHHJAZBWOM-UHFFFAOYSA-N
XLogP-1.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
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-(methanesulfonamido)ethylamino]butanoic acid?
The IUPAC name of 4-[2-(methanesulfonamido)ethylamino]butanoic acid (CID 43545963) is 4-[2-(methanesulfonamido)ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethylamino]butanoic acid?
The canonical SMILES for 4-[2-(methanesulfonamido)ethylamino]butanoic acid is CS(=O)(=O)NCCNCCCC(=O)O.
What is the InChIKey of 4-[2-(methanesulfonamido)ethylamino]butanoic acid?
The InChIKey is UBKHCHHJAZBWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-14(12,13)9-6-5-8-4-2-3-7(10)11/h8-9H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-[2-(methanesulfonamido)ethylamino]butanoic acid?
4-[2-(methanesulfonamido)ethylamino]butanoic acid has a molecular weight of 224.28 g/mol, XLogP of -1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethylamino]butanoic acid is sourced from PubChem (CID 43545963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).