2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C11H18N2O3S — CID 63791654

IUPAC2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H18N2O3S/c1-2-9-13(8(6-17-9)11(15)16)10(14)7-4-3-5-12-7/h7-9,12H,2-6H2,1H3,(H,15,16)/t7-,8?,9?/m0/s1
InChIKeyYMPKGLKXVIFENE-UEJVZZJDSA-N
MW258.34 g/mol
LogP0.50
Rot. Bonds3

About 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791654) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791654
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H18N2O3S/c1-2-9-13(8(6-17-9)11(15)16)10(14)7-4-3-5-12-7/h7-9,12H,2-6H2,1H3,(H,15,16)/t7-,8?,9?/m0/s1
InChIKeyYMPKGLKXVIFENE-UEJVZZJDSA-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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Related Compounds

3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64568961
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63793043
2-ethyl-3-(pyrrolidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237451
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
2-ethyl-3-prop-2-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 63791814
3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63791676
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
3-(4-ethoxy-4-oxobutanoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63790593
2-ethyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792537
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79930755
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 63791654) is 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YMPKGLKXVIFENE-UEJVZZJDSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-9-13(8(6-17-9)11(15)16)10(14)7-4-3-5-12-7/h7-9,12H,2-6H2,1H3,(H,15,16)/t7-,8?,9?/m0/s1.
What are the key properties of 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[(2S)-pyrrolidine-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 2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).