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

C12H20N2O3S — CID 63791466

IUPAC3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H20N2O3S/c1-8-14(9(7-18-8)10(15)16)11(17)12(13)5-3-2-4-6-12/h8-9H,2-7,13H2,1H3,(H,15,16)
InChIKeyNYBYGCUWDCGRFK-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds2

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

3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791466) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791466
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H20N2O3S/c1-8-14(9(7-18-8)10(15)16)11(17)12(13)5-3-2-4-6-12/h8-9H,2-7,13H2,1H3,(H,15,16)
InChIKeyNYBYGCUWDCGRFK-UHFFFAOYSA-N
XLogP1.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
2-methyl-3-(piperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237845
3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 83072475
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81172472
3-[2-(1,1-dioxothiolan-3-yl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791093
3-[(2-aminocyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237660
3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 79853620
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791
4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
CID 82904599
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
3-(3,5-dioxopiperazine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 66061442

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63791466) is 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)C1(N)CCCCC1.
What is the InChIKey of 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NYBYGCUWDCGRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-14(9(7-18-8)10(15)16)11(17)12(13)5-3-2-4-6-12/h8-9H,2-7,13H2,1H3,(H,15,16).
What are the key properties of 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).