2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid

C10H15NO5S — CID 79887140

IUPAC2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid
SMILESCC1(C)C(=O)N(CC2(CC(=O)O)CC2)S1(=O)=O
InChIInChI=1S/C10H15NO5S/c1-9(2)8(14)11(17(9,15)16)6-10(3-4-10)5-7(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyWTBUUJISBFTWOO-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.19
Rot. Bonds4

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

2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid (PubChem CID 79887140) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid
PubChem CID79887140
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid
SMILESCC1(C)C(=O)N(CC2(CC(=O)O)CC2)S1(=O)=O
InChIInChI=1S/C10H15NO5S/c1-9(2)8(14)11(17(9,15)16)6-10(3-4-10)5-7(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyWTBUUJISBFTWOO-UHFFFAOYSA-N
XLogP0.19
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid (CID 79887140) is 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid is CC1(C)C(=O)N(CC2(CC(=O)O)CC2)S1(=O)=O.
What is the InChIKey of 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is WTBUUJISBFTWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-9(2)8(14)11(17(9,15)16)6-10(3-4-10)5-7(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 261.30 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 79887140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).