3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate

C9H14NO4S- — CID 23091968

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CSCC1C(=O)[O-]
InChIInChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/p-1
InChIKeyFJWNZTPXVSWUKF-UHFFFAOYSA-M
MW232.28 g/mol
LogP0.05
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate

3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 23091968) has the molecular formula C9H14NO4S- and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate
PubChem CID23091968
Molecular FormulaC9H14NO4S-
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CSCC1C(=O)[O-]
InChIInChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/p-1
InChIKeyFJWNZTPXVSWUKF-UHFFFAOYSA-M
XLogP0.05
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate (CID 23091968) is 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate is CC(C)(C)OC(=O)N1CSCC1C(=O)[O-].
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is FJWNZTPXVSWUKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/p-1.
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate?
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 23091968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).