2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid

C9H16N2O7S — CID 107435713

IUPAC2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
SMILESCOC(=O)CCCS(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C9H16N2O7S/c1-18-9(15)3-2-4-19(16,17)11(5-7(10)12)6-8(13)14/h2-6H2,1H3,(H2,10,12)(H,13,14)
InChIKeyGBZFRGGWWCRNKW-UHFFFAOYSA-N
MW296.30 g/mol
LogP-1.86
Rot. Bonds9

About 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid (PubChem CID 107435713) has the molecular formula C9H16N2O7S and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
PubChem CID107435713
Molecular FormulaC9H16N2O7S
Molecular Weight296.30 g/mol
Exact Mass296.07
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
SMILESCOC(=O)CCCS(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C9H16N2O7S/c1-18-9(15)3-2-4-19(16,17)11(5-7(10)12)6-8(13)14/h2-6H2,1H3,(H2,10,12)(H,13,14)
InChIKeyGBZFRGGWWCRNKW-UHFFFAOYSA-N
XLogP-1.86
TPSA144.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid (CID 107435713) is 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid is COC(=O)CCCS(=O)(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
The InChIKey is GBZFRGGWWCRNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O7S/c1-18-9(15)3-2-4-19(16,17)11(5-7(10)12)6-8(13)14/h2-6H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid has a molecular weight of 296.30 g/mol, XLogP of -1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid is sourced from PubChem (CID 107435713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).