2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid

C9H16O4S — CID 79325904

IUPAC2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid
SMILESCCOC(CCSC1COC1)C(=O)O
InChIInChI=1S/C9H16O4S/c1-2-13-8(9(10)11)3-4-14-7-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyHKYWRUHIHFVEGY-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.00
Rot. Bonds7

About 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid

2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid (PubChem CID 79325904) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid
PubChem CID79325904
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid
SMILESCCOC(CCSC1COC1)C(=O)O
InChIInChI=1S/C9H16O4S/c1-2-13-8(9(10)11)3-4-14-7-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyHKYWRUHIHFVEGY-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 55180912
2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
CID 102608421
ethyl 4-(oxetan-3-ylsulfanyl)-2-(propan-2-ylamino)butanoate
CID 79326117
4-bromo-2-ethoxybutanoic acid
CID 174871505
2-ethoxy-4-(3-hydroxy-2-methylpropyl)sulfanylbutanoic acid
CID 66103884
N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79333935
2-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63097909
2-ethoxy-4-(4-fluorophenyl)sulfanylbutanoic acid
CID 63100133
2-ethoxyicosanoic acid
CID 86106777
2-ethoxy-7-oxoheptanoic acid
CID 141127524
2-ethoxy-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63099476
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid?
The IUPAC name of 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid (CID 79325904) is 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid is CCOC(CCSC1COC1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid?
The InChIKey is HKYWRUHIHFVEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-2-13-8(9(10)11)3-4-14-7-5-12-6-7/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid?
2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid has a molecular weight of 220.29 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(oxetan-3-ylsulfanyl)butanoic acid is sourced from PubChem (CID 79325904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).