2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid

C9H14N2O4S — CID 43469224

IUPAC2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-2-6(9(14)15)10-7(12)3-11-5-16-4-8(11)13/h6H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyXWJRVNASWUAXKH-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.50
Rot. Bonds5

About 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid

2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid (PubChem CID 43469224) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
PubChem CID43469224
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-2-6(9(14)15)10-7(12)3-11-5-16-4-8(11)13/h6H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyXWJRVNASWUAXKH-UHFFFAOYSA-N
XLogP-0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 61144203
(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 103804375
2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid
CID 65217866
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]butanoic acid
CID 119223622
2-(4-bromophenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 119197859
N,N-dimethyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanamide
CID 47035847
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51709582
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9162188
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid (CID 43469224) is 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid is CCC(NC(=O)CN1CSCC1=O)C(=O)O.
What is the InChIKey of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid?
The InChIKey is XWJRVNASWUAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-2-6(9(14)15)10-7(12)3-11-5-16-4-8(11)13/h6H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid?
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid has a molecular weight of 246.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43469224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).