3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid

C7H12N2O3S — CID 20699507

IUPAC3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C7H12N2O3S/c1-8-2-6(10)9-4-13-3-5(9)7(11)12/h5,8H,2-4H2,1H3,(H,11,12)
InChIKeyYVUMKCDBFODWLL-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.81
Rot. Bonds3

About 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 20699507) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID20699507
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C7H12N2O3S/c1-8-2-6(10)9-4-13-3-5(9)7(11)12/h5,8H,2-4H2,1H3,(H,11,12)
InChIKeyYVUMKCDBFODWLL-UHFFFAOYSA-N
XLogP-0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Procysteine
CID 72390
4-Thiazolidinecarboxylic acid, 3-acetyl-
CID 98928
Glycylmethionine, DL-
CID 96757
2-Oxo-1,3-thiazolidine-4-carboxylic acid
CID 65272
Glycyl-L-methionine
CID 151282
N-Acetyl-S-methyl-L-cysteine
CID 13893975
(4R)-3-Acetyl-4-thiazolidinecarboxylic acid
CID 197107
2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetic acid
CID 477573
2-Acetamido-3-(methylsulfanyl)propanoic acid
CID 306124
3-Glycyl-2-methyl-1,3-thiazolidine-4-carboxylic acid--hydrogen bromide (1/1)
CID 3065224
Cartasteine
CID 193952
N-acetyl-S-(N-methylcarbamoyl)cysteine
CID 108218

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 20699507) is 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid is CNCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YVUMKCDBFODWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-8-2-6(10)9-4-13-3-5(9)7(11)12/h5,8H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 204.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 20699507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).