3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid

C15H19NO4S — CID 63792063

IUPAC3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4S/c1-2-6-13-16(12(10-21-13)14(17)18)15(19)20-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H,17,18)
InChIKeyUTDXNZHWTQYUGQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.95
Rot. Bonds5

About 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792063) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792063
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO4S/c1-2-6-13-16(12(10-21-13)14(17)18)15(19)20-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H,17,18)
InChIKeyUTDXNZHWTQYUGQ-UHFFFAOYSA-N
XLogP2.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
2-(oxan-4-ylmethyl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 68804937
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-[2-(3-aminophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 65350357
(2R)-3-phenylmethoxycarbonyl-2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 68804960
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
(2S,4S)-3-(2-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 809620
3-[2-(2-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792427
3-[2-(3-fluorophenyl)acetyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792230
(2S,4R)-2-(1-methylimidazol-2-yl)-3-phenylmethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 68812264
(2S,4R)-1-phenylmethoxycarbonyl-4-propylpyrrolidine-2-carboxylic acid
CID 22802136
2-pentyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728675

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63792063) is 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UTDXNZHWTQYUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-6-13-16(12(10-21-13)14(17)18)15(19)20-9-11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3,(H,17,18).
What are the key properties of 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).