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

C7H13BrN2O3S — CID 3065224

IUPAC3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide
SMILESBr.CC1SCC(C(=O)O)N1C(=O)CN
InChIInChI=1S/C7H12N2O3S.BrH/c1-4-9(6(10)2-8)5(3-13-4)7(11)12;/h4-5H,2-3,8H2,1H3,(H,11,12);1H
InChIKeyHCDFXNFHHRKNRE-UHFFFAOYSA-N
MW285.16 g/mol
LogP-0.10
Rot. Bonds2

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

3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide (PubChem CID 3065224) has the molecular formula C7H13BrN2O3S and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide
PubChem CID3065224
Molecular FormulaC7H13BrN2O3S
Molecular Weight285.16 g/mol
Exact Mass283.98
IUPAC Name3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide
SMILESBr.CC1SCC(C(=O)O)N1C(=O)CN
InChIInChI=1S/C7H12N2O3S.BrH/c1-4-9(6(10)2-8)5(3-13-4)7(11)12;/h4-5H,2-3,8H2,1H3,(H,11,12);1H
InChIKeyHCDFXNFHHRKNRE-UHFFFAOYSA-N
XLogP-0.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 5-0.10
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;hydrobromide?
The IUPAC name of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide (CID 3065224) is 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide.
What is the SMILES notation for 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide?
The canonical SMILES for 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide is Br.CC1SCC(C(=O)O)N1C(=O)CN.
What is the InChIKey of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide?
The InChIKey is HCDFXNFHHRKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S.BrH/c1-4-9(6(10)2-8)5(3-13-4)7(11)12;/h4-5H,2-3,8H2,1H3,(H,11,12);1H.
What are the key properties of 3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide?
3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid;hydrobromide has a molecular weight of 285.16 g/mol, XLogP of -0.10, 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;hydrobromide is sourced from PubChem (CID 3065224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).