2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid

C9H16O5S — CID 65443321

IUPAC2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESCOCCS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H16O5S/c1-14-4-5-15(12,13)7-9(2-3-9)6-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyZXJPNRKKZWRJNP-UHFFFAOYSA-N
MW236.29 g/mol
LogP0.30
Rot. Bonds7

About 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65443321) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65443321
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESCOCCS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H16O5S/c1-14-4-5-15(12,13)7-9(2-3-9)6-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyZXJPNRKKZWRJNP-UHFFFAOYSA-N
XLogP0.30
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(3-methylbutoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65444116
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
2-[1-(cyanomethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442523
2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
CID 82927078
methyl 2-[1-(2-ethylsulfonylethylsulfonylmethyl)cyclopropyl]acetate
CID 107776601
1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane
CID 65008377
methyl 2-[1-(propylsulfonylmethyl)cyclopropyl]acetate
CID 107776725
2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441743
methyl 2-[1-[2-(methylamino)ethylsulfonylmethyl]cyclopropyl]acetate
CID 107778276
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
methyl 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfonylmethyl]cyclopropyl]acetate
CID 107776835
2-[1-[(2,4,6-trimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65442129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid (CID 65443321) is 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid is COCCS(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is ZXJPNRKKZWRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c1-14-4-5-15(12,13)7-9(2-3-9)6-8(10)11/h2-7H2,1H3,(H,10,11).
What are the key properties of 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65443321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).