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

C10H16N2O3S — CID 63793043

IUPAC2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3S/c1-6-12(8(5-16-6)10(14)15)9(13)7-3-2-4-11-7/h6-8,11H,2-5H2,1H3,(H,14,15)/t6?,7-,8?/m0/s1
InChIKeyANBHSYSRYSBMNO-WTIBDHCWSA-N
MW244.32 g/mol
LogP0.11
Rot. Bonds2

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

2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63793043) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63793043
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3S/c1-6-12(8(5-16-6)10(14)15)9(13)7-3-2-4-11-7/h6-8,11H,2-5H2,1H3,(H,14,15)/t6?,7-,8?/m0/s1
InChIKeyANBHSYSRYSBMNO-WTIBDHCWSA-N
XLogP0.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63791654
2-methyl-3-(piperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235129
3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64568961
(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 130747889
2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237845
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791448
3-(4-tert-butylcyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790556
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781288
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 63793043) is 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ANBHSYSRYSBMNO-WTIBDHCWSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6-12(8(5-16-6)10(14)15)9(13)7-3-2-4-11-7/h6-8,11H,2-5H2,1H3,(H,14,15)/t6?,7-,8?/m0/s1.
What are the key properties of 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63793043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).