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

C14H24N2O3S — CID 63780737

IUPAC3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1CCCN1C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C14H24N2O3S/c1-4-10-6-5-7-15(10)14(19)16-11(13(17)18)8-20-12(16)9(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeySQSNQENXVABFHF-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.46
Rot. Bonds3

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

3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780737) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780737
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1CCCN1C(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C14H24N2O3S/c1-4-10-6-5-7-15(10)14(19)16-11(13(17)18)8-20-12(16)9(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeySQSNQENXVABFHF-UHFFFAOYSA-N
XLogP2.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780738
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
3-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781851
3-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63774708
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 81194262
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-[(E)-4-aminobut-2-enoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 112746829
3-(2-ethylpyrrolidine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 83071465

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63780737) is 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCC1CCCN1C(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SQSNQENXVABFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-10-6-5-7-15(10)14(19)16-11(13(17)18)8-20-12(16)9(2)3/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.46, 3 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-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).