3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid

C10H12F3N3O3S — CID 79801832

IUPAC3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1cscn1)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3S/c1-9(7(17)18,10(11,12)13)15-8(19)16(2)3-6-4-20-5-14-6/h4-5H,3H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyANYVLIGCSGKQSN-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.69
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 79801832) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID79801832
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(Cc1cscn1)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3S/c1-9(7(17)18,10(11,12)13)15-8(19)16(2)3-6-4-20-5-14-6/h4-5H,3H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyANYVLIGCSGKQSN-UHFFFAOYSA-N
XLogP1.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
2-methyl-3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 62669220
5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55011839
2-hydroxy-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 107839327
2-cyclopropyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]acetic acid
CID 55107585
2-fluoro-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796209
3,3,3-trifluoro-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]propanoic acid
CID 80996867
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3,3,3-trifluoro-2-methyl-2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 79801254

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid (CID 79801832) is 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid is CN(Cc1cscn1)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ANYVLIGCSGKQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c1-9(7(17)18,10(11,12)13)15-8(19)16(2)3-6-4-20-5-14-6/h4-5H,3H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 311.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79801832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).