2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid

C10H18N2O6S — CID 110284451

IUPAC2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
SMILESCOCCN1CCN(S(C)(=O)=O)C(CC(=O)O)C1=O
InChIInChI=1S/C10H18N2O6S/c1-18-6-5-11-3-4-12(19(2,16)17)8(10(11)15)7-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyPANWUYYOOFDWHF-UHFFFAOYSA-N
MW294.33 g/mol
LogP-1.42
Rot. Bonds6

About 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid

2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284451) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284451
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
SMILESCOCCN1CCN(S(C)(=O)=O)C(CC(=O)O)C1=O
InChIInChI=1S/C10H18N2O6S/c1-18-6-5-11-3-4-12(19(2,16)17)8(10(11)15)7-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyPANWUYYOOFDWHF-UHFFFAOYSA-N
XLogP-1.42
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-chlorophenyl)methyl]-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284461
2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
CID 91920316
2-[4-(2-ethoxyethyl)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetic acid
CID 110284123
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284355
2-[1-(4-methylphenyl)sulfonyl-3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetic acid
CID 110284490
2-(3-oxo-1-propan-2-yl-4-propylpiperazin-2-yl)acetic acid
CID 110284114
2-(4-ethyl-3-oxo-1-propylpiperazin-2-yl)acetic acid
CID 110284161
2-(1-cyclohexyl-3-oxo-4-propylpiperazin-2-yl)acetic acid
CID 110284130
3-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]propanoic acid
CID 112514282
2-(1,3-dimethylimidazolidin-2-yl)acetic acid
CID 96634354
2-[(4R)-1-(2-methoxyethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 124676645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid (CID 110284451) is 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid is COCCN1CCN(S(C)(=O)=O)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is PANWUYYOOFDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-18-6-5-11-3-4-12(19(2,16)17)8(10(11)15)7-9(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid?
2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 294.33 g/mol, XLogP of -1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).