2-amino-3-sulfopropanoic acid

C3H7NO5S — CID 25701

IUPAC2-amino-3-sulfopropanoic acid
SMILESNC(CS(=O)(=O)O)C(=O)O
InChIInChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChIKeyXVOYSCVBGLVSOL-UHFFFAOYSA-N
MW169.16 g/mol
LogP-1.71
Rot. Bonds3

About 2-amino-3-sulfopropanoic acid

2-amino-3-sulfopropanoic acid (PubChem CID 25701) has the molecular formula C3H7NO5S and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-amino-3-sulfopropanoic acid.

Molecular Properties

Compound Name2-amino-3-sulfopropanoic acid
PubChem CID25701
Molecular FormulaC3H7NO5S
Molecular Weight169.16 g/mol
Exact Mass169.00
IUPAC Name2-amino-3-sulfopropanoic acid
SMILESNC(CS(=O)(=O)O)C(=O)O
InChIInChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChIKeyXVOYSCVBGLVSOL-UHFFFAOYSA-N
XLogP-1.71
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-sulfopropanoic acid?
The IUPAC name of 2-amino-3-sulfopropanoic acid (CID 25701) is 2-amino-3-sulfopropanoic acid.
What is the SMILES notation for 2-amino-3-sulfopropanoic acid?
The canonical SMILES for 2-amino-3-sulfopropanoic acid is NC(CS(=O)(=O)O)C(=O)O.
What is the InChIKey of 2-amino-3-sulfopropanoic acid?
The InChIKey is XVOYSCVBGLVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9).
What are the key properties of 2-amino-3-sulfopropanoic acid?
2-amino-3-sulfopropanoic acid has a molecular weight of 169.16 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-sulfopropanoic acid is sourced from PubChem (CID 25701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).