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

C9H14N2O4S — CID 43172193

IUPAC3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N(C)CC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-6(12)10(2)3-8(13)11-5-16-4-7(11)9(14)15/h7H,3-5H2,1-2H3,(H,14,15)
InChIKeyDUXWMGVENYTORJ-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.55
Rot. Bonds3

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

3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172193) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172193
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)N(C)CC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-6(12)10(2)3-8(13)11-5-16-4-7(11)9(14)15/h7H,3-5H2,1-2H3,(H,14,15)
InChIKeyDUXWMGVENYTORJ-UHFFFAOYSA-N
XLogP-0.55
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43172193) is 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid is CC(=O)N(C)CC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DUXWMGVENYTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-6(12)10(2)3-8(13)11-5-16-4-7(11)9(14)15/h7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[acetyl(methyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).