2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid

C11H18N2O4S — CID 119187544

IUPAC2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-4-8(14)13-6-18-5-7(13)9(15)12-11(2,3)10(16)17/h7H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyKMUGVAZMWDLPFW-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.28
Rot. Bonds4

About 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid

2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid (PubChem CID 119187544) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
PubChem CID119187544
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-4-8(14)13-6-18-5-7(13)9(15)12-11(2,3)10(16)17/h7H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyKMUGVAZMWDLPFW-UHFFFAOYSA-N
XLogP0.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid (CID 119187544) is 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid is CCC(=O)N1CSCC1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
The InChIKey is KMUGVAZMWDLPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-4-8(14)13-6-18-5-7(13)9(15)12-11(2,3)10(16)17/h7H,4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid?
2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid has a molecular weight of 274.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119187544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).