2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid

C8H14O5S — CID 103134385

IUPAC2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid
SMILESCC1CCC(CS(=O)(=O)CC(=O)O)O1
InChIInChI=1S/C8H14O5S/c1-6-2-3-7(13-6)4-14(11,12)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyYHVUCKLSGJTBAQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.05
Rot. Bonds4

About 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid

2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid (PubChem CID 103134385) has the molecular formula C8H14O5S and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid
PubChem CID103134385
Molecular FormulaC8H14O5S
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid
SMILESCC1CCC(CS(=O)(=O)CC(=O)O)O1
InChIInChI=1S/C8H14O5S/c1-6-2-3-7(13-6)4-14(11,12)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyYHVUCKLSGJTBAQ-UHFFFAOYSA-N
XLogP0.05
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]acetic acid
CID 82839087
2-fluoro-5-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid
CID 103134416
2-chloro-3-fluoro-5-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid
CID 103135517
(2R,7S)-2-(benzenesulfonylmethyl)-7-methyloxepane
CID 102009091
3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-yl]propanoic acid
CID 82838620
2-[(5-methyloxolan-2-yl)methylcarbamoylamino]acetic acid
CID 103133662
5-chloro-2-methyl-3-[(5-methyloxolan-2-yl)methylsulfonyl]benzoic acid
CID 103135520
3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole-4-carboxylic acid
CID 103135255
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020
2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid
CID 107440730
N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
CID 130659174

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid (CID 103134385) is 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid is CC1CCC(CS(=O)(=O)CC(=O)O)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid?
The InChIKey is YHVUCKLSGJTBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S/c1-6-2-3-7(13-6)4-14(11,12)5-8(9)10/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid?
2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid has a molecular weight of 222.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methylsulfonyl]acetic acid is sourced from PubChem (CID 103134385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).