4-amino-2-sulfobutanoic acid;hydrochloride

C4H10ClNO5S — CID 141252248

IUPAC4-amino-2-sulfobutanoic acid;hydrochloride
SMILESCl.NCCC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H9NO5S.ClH/c5-2-1-3(4(6)7)11(8,9)10;/h3H,1-2,5H2,(H,6,7)(H,8,9,10);1H
InChIKeyYDJVVVBNDWXGDZ-UHFFFAOYSA-N
MW219.65 g/mol
LogP-0.90
Rot. Bonds4

About 4-amino-2-sulfobutanoic acid;hydrochloride

4-amino-2-sulfobutanoic acid;hydrochloride (PubChem CID 141252248) has the molecular formula C4H10ClNO5S and a molecular weight of 219.65 g/mol. Its IUPAC name is 4-amino-2-sulfobutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-2-sulfobutanoic acid;hydrochloride
PubChem CID141252248
Molecular FormulaC4H10ClNO5S
Molecular Weight219.65 g/mol
Exact Mass219.00
IUPAC Name4-amino-2-sulfobutanoic acid;hydrochloride
SMILESCl.NCCC(C(=O)O)S(=O)(=O)O
InChIInChI=1S/C4H9NO5S.ClH/c5-2-1-3(4(6)7)11(8,9)10;/h3H,1-2,5H2,(H,6,7)(H,8,9,10);1H
InChIKeyYDJVVVBNDWXGDZ-UHFFFAOYSA-N
XLogP-0.90
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-sulfobutanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Methylsulfonyl)amino]butanoic acid
CID 7446982
4-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 120605755
4-(Ethenylsulfonylamino)butanoic acid
CID 155931132
4-(4,4,4-Trifluorobutylsulfonylamino)butanoic acid
CID 83068838
4-(3-Fluoropropylsulfonylamino)butanoic acid
CID 120081507
4-(1,1,1-Trifluoropropan-2-ylsulfonylamino)butanoic acid
CID 120393912
4-(4-Fluorobutylsulfonylamino)butanoic acid
CID 121617567
4-Amino-5-sulfopentanoic acid
CID 15294689
4-(Butane-1-sulfonamido)butanoic acid
CID 16768947
4-Amino-2-sulfobutanoic acid
CID 20561413
4-Amino-3-sulfobutanoic acid
CID 20561417
4-Amino-4-methylsulfonylbutanoic acid
CID 57211360

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-sulfobutanoic acid;hydrochloride?
The IUPAC name of 4-amino-2-sulfobutanoic acid;hydrochloride (CID 141252248) is 4-amino-2-sulfobutanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-2-sulfobutanoic acid;hydrochloride?
The canonical SMILES for 4-amino-2-sulfobutanoic acid;hydrochloride is Cl.NCCC(C(=O)O)S(=O)(=O)O.
What is the InChIKey of 4-amino-2-sulfobutanoic acid;hydrochloride?
The InChIKey is YDJVVVBNDWXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S.ClH/c5-2-1-3(4(6)7)11(8,9)10;/h3H,1-2,5H2,(H,6,7)(H,8,9,10);1H.
What are the key properties of 4-amino-2-sulfobutanoic acid;hydrochloride?
4-amino-2-sulfobutanoic acid;hydrochloride has a molecular weight of 219.65 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-sulfobutanoic acid;hydrochloride is sourced from PubChem (CID 141252248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).