2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid

C8H13NO4S — CID 151524068

IUPAC2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)NC(CC(=O)O)CS1
InChIInChI=1S/C8H13NO4S/c1-8(3-7(12)13)9-5(4-14-8)2-6(10)11/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyPVBONSLFXFGJKJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.36
Rot. Bonds4

About 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid

2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid (PubChem CID 151524068) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid
PubChem CID151524068
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid
SMILESCC1(CC(=O)O)NC(CC(=O)O)CS1
InChIInChI=1S/C8H13NO4S/c1-8(3-7(12)13)9-5(4-14-8)2-6(10)11/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyPVBONSLFXFGJKJ-UHFFFAOYSA-N
XLogP0.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid (CID 151524068) is 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid is CC1(CC(=O)O)NC(CC(=O)O)CS1.
What is the InChIKey of 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid?
The InChIKey is PVBONSLFXFGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S/c1-8(3-7(12)13)9-5(4-14-8)2-6(10)11/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid?
2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid has a molecular weight of 219.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid is sourced from PubChem (CID 151524068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).