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

C12H19N3O3S — CID 55011748

IUPAC2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-5-12(2,10(16)17)14-11(18)15(3)6-9-7-19-8-13-9/h7-8H,4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVKQVWFSNJTUHPG-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.93
Rot. Bonds6

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

2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 55011748) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID55011748
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-4-5-12(2,10(16)17)14-11(18)15(3)6-9-7-19-8-13-9/h7-8H,4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVKQVWFSNJTUHPG-UHFFFAOYSA-N
XLogP1.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid (CID 55011748) is 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid is CCCC(C)(NC(=O)N(C)Cc1cscn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is VKQVWFSNJTUHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-5-12(2,10(16)17)14-11(18)15(3)6-9-7-19-8-13-9/h7-8H,4-6H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid?
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 55011748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).