(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid

C9H18N2O6S — CID 63307130

IUPAC(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
SMILESCCN(CC)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C9H18N2O6S/c1-4-11(5-2)18(15,16)10-7(9(13)14)6-8(12)17-3/h7,10H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyCOAPJZZQPTZBTM-ZETCQYMHSA-N
MW282.32 g/mol
LogP-0.82
Rot. Bonds8

About (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid

(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid (PubChem CID 63307130) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
PubChem CID63307130
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
SMILESCCN(CC)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C9H18N2O6S/c1-4-11(5-2)18(15,16)10-7(9(13)14)6-8(12)17-3/h7,10H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyCOAPJZZQPTZBTM-ZETCQYMHSA-N
XLogP-0.82
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic 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)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307217
methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate
CID 43624339
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
(2S)-2-(dimethylsulfamoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841691
2-(dipropylsulfamoylamino)butanoic acid
CID 43470036
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
3-(diethylsulfamoylamino)-2-methylpropanoic acid
CID 62675349
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
(2S)-4-methoxy-4-oxo-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55136441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid (CID 63307130) is (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid is CCN(CC)S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid?
The InChIKey is COAPJZZQPTZBTM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-4-11(5-2)18(15,16)10-7(9(13)14)6-8(12)17-3/h7,10H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid?
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid has a molecular weight of 282.32 g/mol, XLogP of -0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 63307130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).