[(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium

C5H12N3O3S+ — CID 44629632

IUPAC[(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium
SMILES[NH3+][C@@H](CC1NSNC1O)C(=O)O
InChIInChI=1S/C5H11N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2-4,7-9H,1,6H2,(H,10,11)/p+1/t2-,3?,4?/m0/s1
InChIKeyLZBRTXVBFVAEPN-WXJVFSNFSA-O
MW194.24 g/mol
LogP-2.49
Rot. Bonds3

About [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium

[(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium (PubChem CID 44629632) has the molecular formula C5H12N3O3S+ and a molecular weight of 194.24 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium
PubChem CID44629632
Molecular FormulaC5H12N3O3S+
Molecular Weight194.24 g/mol
Exact Mass194.06
IUPAC Name[(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium
SMILES[NH3+][C@@H](CC1NSNC1O)C(=O)O
InChIInChI=1S/C5H11N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2-4,7-9H,1,6H2,(H,10,11)/p+1/t2-,3?,4?/m0/s1
InChIKeyLZBRTXVBFVAEPN-WXJVFSNFSA-O
XLogP-2.49
TPSA109.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium (CID 44629632) is [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium is [NH3+][C@@H](CC1NSNC1O)C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium?
The InChIKey is LZBRTXVBFVAEPN-WXJVFSNFSA-O. The full InChI is InChI=1S/C5H11N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2-4,7-9H,1,6H2,(H,10,11)/p+1/t2-,3?,4?/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium?
[(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium has a molecular weight of 194.24 g/mol, XLogP of -2.49, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-(4-hydroxy-1,2,5-thiadiazolidin-3-yl)ethyl]azanium is sourced from PubChem (CID 44629632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).