2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid

C10H15N3O5S — CID 43465478

IUPAC2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C10H15N3O5S/c14-7(1-2-13-3-4-19-10(13)18)11-5-8(15)12-6-9(16)17/h1-6H2,(H,11,14)(H,12,15)(H,16,17)
InChIKeySPEBGGYHPHMMGJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.14
Rot. Bonds7

About 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid

2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid (PubChem CID 43465478) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid
PubChem CID43465478
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CCN1CCSC1=O
InChIInChI=1S/C10H15N3O5S/c14-7(1-2-13-3-4-19-10(13)18)11-5-8(15)12-6-9(16)17/h1-6H2,(H,11,14)(H,12,15)(H,16,17)
InChIKeySPEBGGYHPHMMGJ-UHFFFAOYSA-N
XLogP-1.14
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid (CID 43465478) is 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CCN1CCSC1=O.
What is the InChIKey of 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid?
The InChIKey is SPEBGGYHPHMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-7(1-2-13-3-4-19-10(13)18)11-5-8(15)12-6-9(16)17/h1-6H2,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid?
2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid has a molecular weight of 289.31 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).