5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid

C9H16N2O7S — CID 61456673

IUPAC5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
SMILESCCOC(=O)CS(=O)(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O7S/c1-2-18-8(13)5-19(16,17)11-6(9(14)15)3-4-7(10)12/h6,11H,2-5H2,1H3,(H2,10,12)(H,14,15)
InChIKeyQDXMWDLWMMSYAQ-UHFFFAOYSA-N
MW296.30 g/mol
LogP-1.81
Rot. Bonds9

About 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid

5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 61456673) has the molecular formula C9H16N2O7S and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID61456673
Molecular FormulaC9H16N2O7S
Molecular Weight296.30 g/mol
Exact Mass296.07
IUPAC Name5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
SMILESCCOC(=O)CS(=O)(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O7S/c1-2-18-8(13)5-19(16,17)11-6(9(14)15)3-4-7(10)12/h6,11H,2-5H2,1H3,(H2,10,12)(H,14,15)
InChIKeyQDXMWDLWMMSYAQ-UHFFFAOYSA-N
XLogP-1.81
TPSA152.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61457000
(2S)-5-ethoxy-5-oxo-2-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 107039392
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097
(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid
CID 107830160
(2S)-5-ethoxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 107039393
5-amino-5-oxo-2-[(2-sulfoacetyl)amino]pentanoic acid
CID 175084988
ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
CID 64993843
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
CID 113317141
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid (CID 61456673) is 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid is CCOC(=O)CS(=O)(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is QDXMWDLWMMSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O7S/c1-2-18-8(13)5-19(16,17)11-6(9(14)15)3-4-7(10)12/h6,11H,2-5H2,1H3,(H2,10,12)(H,14,15).
What are the key properties of 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 296.30 g/mol, XLogP of -1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61456673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).