2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid

C12H18N2O3S — CID 87952259

IUPAC2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(CCC(=O)Nc1ncc(C(C)C)s1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-7(2)9-6-13-12(18-9)14-10(15)5-4-8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyBZIVTRLSRROJDK-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.71
Rot. Bonds6

About 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid

2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 87952259) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID87952259
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESCC(CCC(=O)Nc1ncc(C(C)C)s1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-7(2)9-6-13-12(18-9)14-10(15)5-4-8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyBZIVTRLSRROJDK-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 87952259) is 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid is CC(CCC(=O)Nc1ncc(C(C)C)s1)C(=O)O.
What is the InChIKey of 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is BZIVTRLSRROJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7(2)9-6-13-12(18-9)14-10(15)5-4-8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid?
2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 87952259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).