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

C7H12N2O3S — CID 3065225

IUPAC3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)CN
InChIInChI=1S/C7H12N2O3S/c1-4-9(6(10)2-8)5(3-13-4)7(11)12/h4-5H,2-3,8H2,1H3,(H,11,12)
InChIKeyAOXVAZDEEBFZSZ-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.68
Rot. Bonds2

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

3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3065225) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID3065225
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)CN
InChIInChI=1S/C7H12N2O3S/c1-4-9(6(10)2-8)5(3-13-4)7(11)12/h4-5H,2-3,8H2,1H3,(H,11,12)
InChIKeyAOXVAZDEEBFZSZ-UHFFFAOYSA-N
XLogP-0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 3065225) is 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)CN.
What is the InChIKey of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AOXVAZDEEBFZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-4-9(6(10)2-8)5(3-13-4)7(11)12/h4-5H,2-3,8H2,1H3,(H,11,12).
What are the key properties of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 204.25 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3065225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).