2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid

C11H20N2O3S — CID 70556674

IUPAC2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(C)(C(C)(C)C(N)=O)NC1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-9(2,8(12)16)11(5)13-6(7(14)15)10(3,4)17-11/h6,13H,1-5H3,(H2,12,16)(H,14,15)
InChIKeyJDZVAZCWMCYCDH-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.78
Rot. Bonds3

About 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid

2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 70556674) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID70556674
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(C)(C(C)(C)C(N)=O)NC1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-9(2,8(12)16)11(5)13-6(7(14)15)10(3,4)17-11/h6,13H,1-5H3,(H2,12,16)(H,14,15)
InChIKeyJDZVAZCWMCYCDH-UHFFFAOYSA-N
XLogP0.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (CID 70556674) is 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(C)(C(C)(C)C(N)=O)NC1C(=O)O.
What is the InChIKey of 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JDZVAZCWMCYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9(2,8(12)16)11(5)13-6(7(14)15)10(3,4)17-11/h6,13H,1-5H3,(H2,12,16)(H,14,15).
What are the key properties of 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 70556674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).