2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid

C10H16N2O4S — CID 60830368

IUPAC2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C10H16N2O4S/c1-7(2)12(4-10(15)16)8(13)3-11-6-17-5-9(11)14/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyZHFWMAZSIMZAQT-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.16
Rot. Bonds5

About 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 60830368) 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]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID60830368
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C10H16N2O4S/c1-7(2)12(4-10(15)16)8(13)3-11-6-17-5-9(11)14/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyZHFWMAZSIMZAQT-UHFFFAOYSA-N
XLogP-0.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid (CID 60830368) is 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is ZHFWMAZSIMZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7(2)12(4-10(15)16)8(13)3-11-6-17-5-9(11)14/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 260.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 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]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60830368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).