3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C12H19NO4S — CID 63781031

IUPAC3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1CCCO1
InChIInChI=1S/C12H19NO4S/c1-7(2)11-13(8(6-18-11)12(15)16)10(14)9-4-3-5-17-9/h7-9,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyOFRCFVAMRFILPQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.18
Rot. Bonds3

About 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781031) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781031
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1CCCO1
InChIInChI=1S/C12H19NO4S/c1-7(2)11-13(8(6-18-11)12(15)16)10(14)9-4-3-5-17-9/h7-9,11H,3-6H2,1-2H3,(H,15,16)
InChIKeyOFRCFVAMRFILPQ-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[(2R)-oxolane-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 104855708
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79384309
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780792
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 81194262
3-(dicyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780949
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79870207
3-(6-bromopyridine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66462662
3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779873
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
3-[(E)-4-aminobut-2-enoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 112746829

Frequently Asked Questions

What is the IUPAC name of 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63781031) is 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)C1CCCO1.
What is the InChIKey of 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OFRCFVAMRFILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-7(2)11-13(8(6-18-11)12(15)16)10(14)9-4-3-5-17-9/h7-9,11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 273.35 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 3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).