3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O3S — CID 83071822

IUPAC3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C(=O)N2CSCC2C(=O)O)CCCN1
InChIInChI=1S/C11H18N2O3S/c1-2-11(4-3-5-12-11)10(16)13-7-17-6-8(13)9(14)15/h8,12H,2-7H2,1H3,(H,14,15)
InChIKeyVZAYKHRRDGBFSP-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.50
Rot. Bonds3

About 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 83071822) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID83071822
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C(=O)N2CSCC2C(=O)O)CCCN1
InChIInChI=1S/C11H18N2O3S/c1-2-11(4-3-5-12-11)10(16)13-7-17-6-8(13)9(14)15/h8,12H,2-7H2,1H3,(H,14,15)
InChIKeyVZAYKHRRDGBFSP-UHFFFAOYSA-N
XLogP0.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 83071822) is 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCC1(C(=O)N2CSCC2C(=O)O)CCCN1.
What is the InChIKey of 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VZAYKHRRDGBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-11(4-3-5-12-11)10(16)13-7-17-6-8(13)9(14)15/h8,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 83071822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).