2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid

C10H15NO4S — CID 115102486

IUPAC2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1CC1CCCCS1
InChIInChI=1S/C10H15NO4S/c12-9(13)8-6-15-10(14)11(8)5-7-3-1-2-4-16-7/h7-8H,1-6H2,(H,12,13)
InChIKeyCIXQOZYNJMSJMU-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.18
Rot. Bonds3

About 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid

2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115102486) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID115102486
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1CC1CCCCS1
InChIInChI=1S/C10H15NO4S/c12-9(13)8-6-15-10(14)11(8)5-7-3-1-2-4-16-7/h7-8H,1-6H2,(H,12,13)
InChIKeyCIXQOZYNJMSJMU-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid (CID 115102486) is 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid is O=C(O)C1COC(=O)N1CC1CCCCS1.
What is the InChIKey of 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is CIXQOZYNJMSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-9(13)8-6-15-10(14)11(8)5-7-3-1-2-4-16-7/h7-8H,1-6H2,(H,12,13).
What are the key properties of 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid?
2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(thian-2-ylmethyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115102486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).