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

C12H20N2O3S — CID 106925088

IUPAC2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
SMILESCCNC(C)(CC(C)Sc1nc(C)co1)C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-5-13-12(4,10(15)16)6-9(3)18-11-14-8(2)7-17-11/h7,9,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyQNLSZZDOWHVEJL-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.31
Rot. Bonds7

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

2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid (PubChem CID 106925088) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
PubChem CID106925088
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
SMILESCCNC(C)(CC(C)Sc1nc(C)co1)C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-5-13-12(4,10(15)16)6-9(3)18-11-14-8(2)7-17-11/h7,9,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyQNLSZZDOWHVEJL-UHFFFAOYSA-N
XLogP2.31
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(methylamino)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925200
4-(1,3-benzoxazol-2-ylsulfanyl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711271
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
4-(2,5-dimethylphenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711087
2-(ethylamino)-2-methyl-4-(1,3-thiazol-2-ylsulfanyl)pentanoic acid
CID 64702709
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(propylamino)pentanoic acid
CID 64703316
2-(ethylamino)-2-methyl-4-(1-methylimidazol-2-yl)sulfanylpentanoic acid
CID 64710646
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
2-(ethylamino)-4-(2-methoxyphenyl)sulfanyl-2-methylpentanoic acid
CID 64704900
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64709839
2-methyl-4-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)pentanoic acid
CID 107782178
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106925188

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid (CID 106925088) is 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid is CCNC(C)(CC(C)Sc1nc(C)co1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
The InChIKey is QNLSZZDOWHVEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-5-13-12(4,10(15)16)6-9(3)18-11-14-8(2)7-17-11/h7,9,13H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid?
2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid has a molecular weight of 272.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid is sourced from PubChem (CID 106925088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).