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

C12H20N2O3S — CID 63780738

IUPAC3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1CCCN1C(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-3-9-5-4-6-13(9)12(17)14-8(2)18-7-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyQDGOFSLNMCMEEY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.83
Rot. Bonds2

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

3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780738) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780738
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1CCCN1C(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-3-9-5-4-6-13(9)12(17)14-8(2)18-7-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyQDGOFSLNMCMEEY-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780737
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 102727462
3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779868
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
3-(2-methoxycarbonylpiperidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 115535110
2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237845
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425231
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780021
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 112626849

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780738) is 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCC1CCCN1C(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QDGOFSLNMCMEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-9-5-4-6-13(9)12(17)14-8(2)18-7-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).