3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C13H23N3O3S — CID 63780560

IUPAC3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN1CCC(CNC(=O)N2C(C)SCC2C(=O)O)C1
InChIInChI=1S/C13H23N3O3S/c1-3-15-5-4-10(7-15)6-14-13(19)16-9(2)20-8-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGZLDILNKQWTAMT-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.89
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780560) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780560
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCN1CCC(CNC(=O)N2C(C)SCC2C(=O)O)C1
InChIInChI=1S/C13H23N3O3S/c1-3-15-5-4-10(7-15)6-14-13(19)16-9(2)20-8-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGZLDILNKQWTAMT-UHFFFAOYSA-N
XLogP0.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438078
3-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780732
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071372
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63773782
2-[1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 61203983
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779442
3-[(3-methylcyclopentyl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107414469

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780560) is 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCN1CCC(CNC(=O)N2C(C)SCC2C(=O)O)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GZLDILNKQWTAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-15-5-4-10(7-15)6-14-13(19)16-9(2)20-8-11(16)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).