2-amino-2-sulfinoacetic acid

C2H5NO4S — CID 21133293

IUPAC2-amino-2-sulfinoacetic acid
SMILESNC(C(=O)O)S(=O)O
InChIInChI=1S/C2H5NO4S/c3-1(2(4)5)8(6)7/h1H,3H2,(H,4,5)(H,6,7)
InChIKeyCXAJZJROPWPBBC-UHFFFAOYSA-N
MW139.13 g/mol
LogP-1.42
Rot. Bonds2

About 2-amino-2-sulfinoacetic acid

2-amino-2-sulfinoacetic acid (PubChem CID 21133293) has the molecular formula C2H5NO4S and a molecular weight of 139.13 g/mol. Its IUPAC name is 2-amino-2-sulfinoacetic acid.

Molecular Properties

Compound Name2-amino-2-sulfinoacetic acid
PubChem CID21133293
Molecular FormulaC2H5NO4S
Molecular Weight139.13 g/mol
Exact Mass138.99
IUPAC Name2-amino-2-sulfinoacetic acid
SMILESNC(C(=O)O)S(=O)O
InChIInChI=1S/C2H5NO4S/c3-1(2(4)5)8(6)7/h1H,3H2,(H,4,5)(H,6,7)
InChIKeyCXAJZJROPWPBBC-UHFFFAOYSA-N
XLogP-1.42
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-sulfinoacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-sulfinoacetic acid?
The IUPAC name of 2-amino-2-sulfinoacetic acid (CID 21133293) is 2-amino-2-sulfinoacetic acid.
What is the SMILES notation for 2-amino-2-sulfinoacetic acid?
The canonical SMILES for 2-amino-2-sulfinoacetic acid is NC(C(=O)O)S(=O)O.
What is the InChIKey of 2-amino-2-sulfinoacetic acid?
The InChIKey is CXAJZJROPWPBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4S/c3-1(2(4)5)8(6)7/h1H,3H2,(H,4,5)(H,6,7).
What are the key properties of 2-amino-2-sulfinoacetic acid?
2-amino-2-sulfinoacetic acid has a molecular weight of 139.13 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-sulfinoacetic acid is sourced from PubChem (CID 21133293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).