2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C8H14N2O3S — CID 71323545

IUPAC2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CNC=O)NC1C(=O)O
InChIInChI=1S/C8H14N2O3S/c1-8(2)6(7(12)13)10-5(14-8)3-9-4-11/h4-6,10H,3H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyLYSIXRYOJDFWOX-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.37
Rot. Bonds4

About 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 71323545) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID71323545
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CNC=O)NC1C(=O)O
InChIInChI=1S/C8H14N2O3S/c1-8(2)6(7(12)13)10-5(14-8)3-9-4-11/h4-6,10H,3H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyLYSIXRYOJDFWOX-UHFFFAOYSA-N
XLogP-0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 71323545) is 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(CNC=O)NC1C(=O)O.
What is the InChIKey of 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LYSIXRYOJDFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-8(2)6(7(12)13)10-5(14-8)3-9-4-11/h4-6,10H,3H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 218.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(formamidomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 71323545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).