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

C12H22O4S — CID 82927078

IUPAC2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
SMILESCCC(CC)CS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C12H22O4S/c1-3-10(4-2)8-17(15,16)9-12(5-6-12)7-11(13)14/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyVLZLCALBFPBLEL-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.09
Rot. Bonds8

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

2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 82927078) has the molecular formula C12H22O4S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID82927078
Molecular FormulaC12H22O4S
Molecular Weight262.37 g/mol
Exact Mass262.12
IUPAC Name2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
SMILESCCC(CC)CS(=O)(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C12H22O4S/c1-3-10(4-2)8-17(15,16)9-12(5-6-12)7-11(13)14/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyVLZLCALBFPBLEL-UHFFFAOYSA-N
XLogP2.09
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
2-[1-(cyanomethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442523
2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443321
2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441743
2-[1-[2-(3-methylbutoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65444116
2-[1-[(2,4,6-trimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65442129
2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443713
2-[1-[(1-propan-2-ylpyrazol-3-yl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65442521
2-[1-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 107043084
2-[1-[[1-(butylamino)-1-oxopropan-2-yl]sulfonylmethyl]cyclopropyl]acetic acid
CID 65441737
2-[1-(chloromethyl)cyclopropyl]acetic acid
CID 55302932
2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
CID 65496990

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid (CID 82927078) is 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid is CCC(CC)CS(=O)(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is VLZLCALBFPBLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4S/c1-3-10(4-2)8-17(15,16)9-12(5-6-12)7-11(13)14/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 262.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 82927078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).