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

C10H16N2O4S — CID 65217866

IUPAC2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C10H16N2O4S/c1-2-7(10(15)16)3-11-8(13)4-12-6-17-5-9(12)14/h7H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyYWGDQUFUDOAYKS-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.25
Rot. Bonds6

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

2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid (PubChem CID 65217866) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid
PubChem CID65217866
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C10H16N2O4S/c1-2-7(10(15)16)3-11-8(13)4-12-6-17-5-9(12)14/h7H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyYWGDQUFUDOAYKS-UHFFFAOYSA-N
XLogP-0.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 43469224
2-[(3-methylphenyl)methyl]-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 119243008
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884019
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 63295069
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119527141
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
(2S)-5-amino-5-oxo-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 61144203
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94819247
N-(5-hydroxypentyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 107319006
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51709582

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid (CID 65217866) is 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid is CCC(CNC(=O)CN1CSCC1=O)C(=O)O.
What is the InChIKey of 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid?
The InChIKey is YWGDQUFUDOAYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-7(10(15)16)3-11-8(13)4-12-6-17-5-9(12)14/h7H,2-6H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid?
2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid has a molecular weight of 260.31 g/mol, XLogP of -0.25, 6 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]methyl]butanoic acid is sourced from PubChem (CID 65217866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).