2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid

C8H14N4O6S — CID 57109754

IUPAC2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
SMILESO=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1O
InChIInChI=1S/C8H14N4O6S/c13-6(4-11-2-1-9-8(11)15)10-5-3-12(7(5)14)19(16,17)18/h5,7,14H,1-4H2,(H,9,15)(H,10,13)(H,16,17,18)
InChIKeySGNSRIWWXJRCTN-UHFFFAOYSA-N
MW294.29 g/mol
LogP-3.07
Rot. Bonds4

About 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid

2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid (PubChem CID 57109754) has the molecular formula C8H14N4O6S and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
PubChem CID57109754
Molecular FormulaC8H14N4O6S
Molecular Weight294.29 g/mol
Exact Mass294.06
IUPAC Name2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
SMILESO=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1O
InChIInChI=1S/C8H14N4O6S/c13-6(4-11-2-1-9-8(11)15)10-5-3-12(7(5)14)19(16,17)18/h5,7,14H,1-4H2,(H,9,15)(H,10,13)(H,16,17,18)
InChIKeySGNSRIWWXJRCTN-UHFFFAOYSA-N
XLogP-3.07
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-3.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
CID 21244262
Sodium;hydride;2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
CID 173406743

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The IUPAC name of 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid (CID 57109754) is 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid is O=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1O.
What is the InChIKey of 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The InChIKey is SGNSRIWWXJRCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O6S/c13-6(4-11-2-1-9-8(11)15)10-5-3-12(7(5)14)19(16,17)18/h5,7,14H,1-4H2,(H,9,15)(H,10,13)(H,16,17,18).
What are the key properties of 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid has a molecular weight of 294.29 g/mol, XLogP of -3.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid is sourced from PubChem (CID 57109754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).