(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid

C8H16N2O6S — CID 104977912

IUPAC(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-4-9-17(14,15)10-6(8(12)13)5-7(11)16-2/h6,9-10H,3-5H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyBDUUOHCNTPUHRK-LURJTMIESA-N
MW268.29 g/mol
LogP-1.16
Rot. Bonds8

About (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid

(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid (PubChem CID 104977912) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
PubChem CID104977912
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-4-9-17(14,15)10-6(8(12)13)5-7(11)16-2/h6,9-10H,3-5H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyBDUUOHCNTPUHRK-LURJTMIESA-N
XLogP-1.16
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
(2S)-2-(ethylsulfamoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 104977995
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307217
3-amino-2-(butylsulfamoylamino)propanoic acid
CID 57183749
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
2-(hexylamino)-4-methoxy-4-oxobutanoic acid
CID 71332238
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
5-methoxy-5-oxo-2-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806989

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid (CID 104977912) is (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid is CCCNS(=O)(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid?
The InChIKey is BDUUOHCNTPUHRK-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-3-4-9-17(14,15)10-6(8(12)13)5-7(11)16-2/h6,9-10H,3-5H2,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid?
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid has a molecular weight of 268.29 g/mol, XLogP of -1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid is sourced from PubChem (CID 104977912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).