5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid

C11H17NO6S — CID 70053709

IUPAC5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid
SMILESCOC(=O)C1CSC(CO)N1C(=O)CCCC(=O)O
InChIInChI=1S/C11H17NO6S/c1-18-11(17)7-6-19-9(5-13)12(7)8(14)3-2-4-10(15)16/h7,9,13H,2-6H2,1H3,(H,15,16)
InChIKeyLPSPYEZAWVSOHR-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.32
Rot. Bonds6

About 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid

5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid (PubChem CID 70053709) has the molecular formula C11H17NO6S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid
PubChem CID70053709
Molecular FormulaC11H17NO6S
Molecular Weight291.33 g/mol
Exact Mass291.08
IUPAC Name5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid
SMILESCOC(=O)C1CSC(CO)N1C(=O)CCCC(=O)O
InChIInChI=1S/C11H17NO6S/c1-18-11(17)7-6-19-9(5-13)12(7)8(14)3-2-4-10(15)16/h7,9,13H,2-6H2,1H3,(H,15,16)
InChIKeyLPSPYEZAWVSOHR-UHFFFAOYSA-N
XLogP-0.32
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid with MolForge

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Related Compounds

methyl 3-(3,3-dimethylbutanoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729354
methyl 2-cyclohexyl-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 42729761
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 7437961
methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 15052278
2-methylpropyl 2-(2-methylpropyl)-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylate
CID 4658197
methyl (2R,4S)-2-tert-butyl-3-(5-methoxy-5-oxopentanoyl)-1,3-oxazolidine-4-carboxylate
CID 10805271
methyl 3-(4-pentylbenzoyl)-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylate
CID 42727813
(4R)-3-(11-carboxyundecanoyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 54573962

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid (CID 70053709) is 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid is COC(=O)C1CSC(CO)N1C(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid?
The InChIKey is LPSPYEZAWVSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO6S/c1-18-11(17)7-6-19-9(5-13)12(7)8(14)3-2-4-10(15)16/h7,9,13H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid?
5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid has a molecular weight of 291.33 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-4-methoxycarbonyl-1,3-thiazolidin-3-yl]-5-oxopentanoic acid is sourced from PubChem (CID 70053709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).