3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C14H22N2O3S — CID 63773782

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H22N2O3S/c1-8-16(12(7-20-8)13(17)18)14(19)15-6-11-5-9-2-3-10(11)4-9/h8-12H,2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyREDFFSBUHZBMGO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.98
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63773782) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63773782
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H22N2O3S/c1-8-16(12(7-20-8)13(17)18)14(19)15-6-11-5-9-2-3-10(11)4-9/h8-12H,2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyREDFFSBUHZBMGO-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107419835
3-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780560
3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781178
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-methyl-3-(pent-3-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 116644735
2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 63683765
2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113484412
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63773782) is 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is REDFFSBUHZBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8-16(12(7-20-8)13(17)18)14(19)15-6-11-5-9-2-3-10(11)4-9/h8-12H,2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63773782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).