4-(sulfoamino)butanoic acid

C4H9NO5S — CID 71349511

IUPAC4-(sulfoamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)O
InChIInChI=1S/C4H9NO5S/c6-4(7)2-1-3-5-11(8,9)10/h5H,1-3H2,(H,6,7)(H,8,9,10)
InChIKeyWTNJXNYDWQQFBU-UHFFFAOYSA-N
MW183.18 g/mol
LogP-0.76
Rot. Bonds5

About 4-(sulfoamino)butanoic acid

4-(sulfoamino)butanoic acid (PubChem CID 71349511) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is 4-(sulfoamino)butanoic acid.

Molecular Properties

Compound Name4-(sulfoamino)butanoic acid
PubChem CID71349511
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name4-(sulfoamino)butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)O
InChIInChI=1S/C4H9NO5S/c6-4(7)2-1-3-5-11(8,9)10/h5H,1-3H2,(H,6,7)(H,8,9,10)
InChIKeyWTNJXNYDWQQFBU-UHFFFAOYSA-N
XLogP-0.76
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
3-Carboxypropylazanium
CID 449579
N-(N-sulfanyl)-4-aminobutyric acid
CID 129761304
gamma-Aminobutyric acid hydrate
CID 137366983
4-[(Methylsulfonyl)amino]butanoic acid
CID 7446982
4-amino(411C)butanoic acid
CID 451012
4-(13N)azanylbutanoic acid
CID 451016
n-Sulfonyl-4-aminobutyric acid
CID 129865141
4-Aminobutanoic acid;pentahydrate
CID 71376920

Frequently Asked Questions

What is the IUPAC name of 4-(sulfoamino)butanoic acid?
The IUPAC name of 4-(sulfoamino)butanoic acid (CID 71349511) is 4-(sulfoamino)butanoic acid.
What is the SMILES notation for 4-(sulfoamino)butanoic acid?
The canonical SMILES for 4-(sulfoamino)butanoic acid is O=C(O)CCCNS(=O)(=O)O.
What is the InChIKey of 4-(sulfoamino)butanoic acid?
The InChIKey is WTNJXNYDWQQFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S/c6-4(7)2-1-3-5-11(8,9)10/h5H,1-3H2,(H,6,7)(H,8,9,10).
What are the key properties of 4-(sulfoamino)butanoic acid?
4-(sulfoamino)butanoic acid has a molecular weight of 183.18 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfoamino)butanoic acid is sourced from PubChem (CID 71349511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).