2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid

C8H12N2O6S — CID 79875452

IUPAC2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid
SMILESCC1(C)C(=O)N(CC(=O)NCC(=O)O)S1(=O)=O
InChIInChI=1S/C8H12N2O6S/c1-8(2)7(14)10(17(8,15)16)4-5(11)9-3-6(12)13/h3-4H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyYBOZGUWAXFPLTB-UHFFFAOYSA-N
MW264.26 g/mol
LogP-1.86
Rot. Bonds4

About 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid

2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid (PubChem CID 79875452) has the molecular formula C8H12N2O6S and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid
PubChem CID79875452
Molecular FormulaC8H12N2O6S
Molecular Weight264.26 g/mol
Exact Mass264.04
IUPAC Name2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid
SMILESCC1(C)C(=O)N(CC(=O)NCC(=O)O)S1(=O)=O
InChIInChI=1S/C8H12N2O6S/c1-8(2)7(14)10(17(8,15)16)4-5(11)9-3-6(12)13/h3-4H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyYBOZGUWAXFPLTB-UHFFFAOYSA-N
XLogP-1.86
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid (CID 79875452) is 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid is CC1(C)C(=O)N(CC(=O)NCC(=O)O)S1(=O)=O.
What is the InChIKey of 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid?
The InChIKey is YBOZGUWAXFPLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O6S/c1-8(2)7(14)10(17(8,15)16)4-5(11)9-3-6(12)13/h3-4H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid?
2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid has a molecular weight of 264.26 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 79875452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).