2-amino-3-sulfinopropanoic acid

C3H7NO4S — CID 109

IUPAC2-amino-3-sulfinopropanoic acid
SMILESNC(CS(=O)O)C(=O)O
InChIInChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
InChIKeyADVPTQAUNPRNPO-UHFFFAOYSA-N
MW153.16 g/mol
LogP-1.38
Rot. Bonds3

About 2-amino-3-sulfinopropanoic acid

2-amino-3-sulfinopropanoic acid (PubChem CID 109) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-amino-3-sulfinopropanoic acid.

Molecular Properties

Compound Name2-amino-3-sulfinopropanoic acid
PubChem CID109
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name2-amino-3-sulfinopropanoic acid
SMILESNC(CS(=O)O)C(=O)O
InChIInChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
InChIKeyADVPTQAUNPRNPO-UHFFFAOYSA-N
XLogP-1.38
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-sulfinopropanoic acid?
The IUPAC name of 2-amino-3-sulfinopropanoic acid (CID 109) is 2-amino-3-sulfinopropanoic acid.
What is the SMILES notation for 2-amino-3-sulfinopropanoic acid?
The canonical SMILES for 2-amino-3-sulfinopropanoic acid is NC(CS(=O)O)C(=O)O.
What is the InChIKey of 2-amino-3-sulfinopropanoic acid?
The InChIKey is ADVPTQAUNPRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8).
What are the key properties of 2-amino-3-sulfinopropanoic acid?
2-amino-3-sulfinopropanoic acid has a molecular weight of 153.16 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-sulfinopropanoic acid is sourced from PubChem (CID 109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).