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

C10H16N2O5S — CID 79468019

IUPAC2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CCN1CCSC1=O
InChIInChI=1S/C10H16N2O5S/c13-8(11-2-5-17-7-9(14)15)1-3-12-4-6-18-10(12)16/h1-7H2,(H,11,13)(H,14,15)
InChIKeyMDYJKAZHMBZHFV-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.24
Rot. Bonds8

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

2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid (PubChem CID 79468019) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid
PubChem CID79468019
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CCN1CCSC1=O
InChIInChI=1S/C10H16N2O5S/c13-8(11-2-5-17-7-9(14)15)1-3-12-4-6-18-10(12)16/h1-7H2,(H,11,13)(H,14,15)
InChIKeyMDYJKAZHMBZHFV-UHFFFAOYSA-N
XLogP-0.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
CID 60682333
methyl 6-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]hexanoate
CID 43408442
1-[[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449576
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113268449
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116656
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116822
4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 119352739
2-methyl-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]propanoic acid
CID 61263918
N-[1-(hydroxymethyl)cyclopropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 115877562
N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
CID 55659401

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid (CID 79468019) is 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CCN1CCSC1=O.
What is the InChIKey of 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid?
The InChIKey is MDYJKAZHMBZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c13-8(11-2-5-17-7-9(14)15)1-3-12-4-6-18-10(12)16/h1-7H2,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid?
2-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethoxy]acetic acid has a molecular weight of 276.31 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 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]ethoxy]acetic acid is sourced from PubChem (CID 79468019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).