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

C8H12N2O5S — CID 43357573

IUPAC3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(CN1CSCC1=O)NC(CO)C(=O)O
InChIInChI=1S/C8H12N2O5S/c11-2-5(8(14)15)9-6(12)1-10-4-16-3-7(10)13/h5,11H,1-4H2,(H,9,12)(H,14,15)
InChIKeyNLOMFVNTCGDDMN-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.92
Rot. Bonds5

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

3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 43357573) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
PubChem CID43357573
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(CN1CSCC1=O)NC(CO)C(=O)O
InChIInChI=1S/C8H12N2O5S/c11-2-5(8(14)15)9-6(12)1-10-4-16-3-7(10)13/h5,11H,1-4H2,(H,9,12)(H,14,15)
InChIKeyNLOMFVNTCGDDMN-UHFFFAOYSA-N
XLogP-1.92
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Cysteinyl-Serine
CID 21759496
Cys-Ser
CID 54532705
N-({[(Dimethylamino)carbonothioyl]thio}acetyl)serine
CID 301727
Cys-Gly-Ser
CID 56640720
Gly-Cys-Ser
CID 145455604
Met-Pro-Ser
CID 145457049
2-[[(4R)-3-(2-aminoacetyl)-2-(hydroxymethyl)-1,3-thiazolidine-4-carbonyl]amino]acetic acid
CID 162414677
(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoic acid
CID 54292452
(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
CID 87833943
(2S)-2-amino-3-hydroxypropanoic acid;1,3-thiazolidine-2,4-dione
CID 87840425
(2R)-3-(acetamidomethylsulfanyl)-2-[(2-amino-3-hydroxypropanoyl)amino]propanoic acid
CID 88798147
Me-Sar-Ser-Cys(Acm)-Gly-OH
CID 100972376

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (CID 43357573) is 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is O=C(CN1CSCC1=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is NLOMFVNTCGDDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c11-2-5(8(14)15)9-6(12)1-10-4-16-3-7(10)13/h5,11H,1-4H2,(H,9,12)(H,14,15).
What are the key properties of 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 248.26 g/mol, XLogP of -1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43357573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).