2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid

C12H18N2O4S — CID 43618975

IUPAC2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-4-5-12(3,10(16)17)13-9(15)6-14-8(2)7-19-11(14)18/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyHTEHVRXOBJFFHY-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.98
Rot. Bonds6

About 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid

2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 43618975) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
PubChem CID43618975
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)Cn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-4-5-12(3,10(16)17)13-9(15)6-14-8(2)7-19-11(14)18/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyHTEHVRXOBJFFHY-UHFFFAOYSA-N
XLogP0.98
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid (CID 43618975) is 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)Cn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is HTEHVRXOBJFFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-5-12(3,10(16)17)13-9(15)6-14-8(2)7-19-11(14)18/h7H,4-6H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43618975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).