2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid

C11H18N2O3S — CID 106925200

IUPAC2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
SMILESCNC(C)(CC(C)Sc1nc(C)co1)C(=O)O
InChIInChI=1S/C11H18N2O3S/c1-7-6-16-10(13-7)17-8(2)5-11(3,12-4)9(14)15/h6,8,12H,5H2,1-4H3,(H,14,15)
InChIKeyFHSAQXHDRRRYQX-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid

2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid (PubChem CID 106925200) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
PubChem CID106925200
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
SMILESCNC(C)(CC(C)Sc1nc(C)co1)C(=O)O
InChIInChI=1S/C11H18N2O3S/c1-7-6-16-10(13-7)17-8(2)5-11(3,12-4)9(14)15/h6,8,12H,5H2,1-4H3,(H,14,15)
InChIKeyFHSAQXHDRRRYQX-UHFFFAOYSA-N
XLogP1.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid (CID 106925200) is 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid is CNC(C)(CC(C)Sc1nc(C)co1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
The InChIKey is FHSAQXHDRRRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-6-16-10(13-7)17-8(2)5-11(3,12-4)9(14)15/h6,8,12H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid has a molecular weight of 258.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid is sourced from PubChem (CID 106925200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).