(4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid

C8H13NO4S — CID 53211616

IUPAC(4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-13-3-2-7(10)9-5-14-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJVAXLTHMYNPWMH-LURJTMIESA-N
MW219.26 g/mol
LogP0.01
Rot. Bonds4

About (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53211616) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53211616
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name(4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO4S/c1-13-3-2-7(10)9-5-14-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJVAXLTHMYNPWMH-LURJTMIESA-N
XLogP0.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 53211616) is (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is COCCC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JVAXLTHMYNPWMH-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO4S/c1-13-3-2-7(10)9-5-14-4-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53211616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).