2-(dipropylsulfamoylamino)-4-methoxybutanoic acid

C11H24N2O5S — CID 62479156

IUPAC2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H24N2O5S/c1-4-7-13(8-5-2)19(16,17)12-10(11(14)15)6-9-18-3/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyAVJXKLFTRDPKMH-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.43
Rot. Bonds11

About 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid

2-(dipropylsulfamoylamino)-4-methoxybutanoic acid (PubChem CID 62479156) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
PubChem CID62479156
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Name2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C11H24N2O5S/c1-4-7-13(8-5-2)19(16,17)12-10(11(14)15)6-9-18-3/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyAVJXKLFTRDPKMH-UHFFFAOYSA-N
XLogP0.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylsulfamoylamino)butanoic acid
CID 43470036
4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
CID 62480752
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
(2R)-2-(dipropylsulfamoylamino)-3,3-dimethylbutanoic acid
CID 113353089
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
4-methoxy-2-(2-methylpentanoylamino)butanoic acid
CID 62478938
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid (CID 62479156) is 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid is CCCN(CCC)S(=O)(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid?
The InChIKey is AVJXKLFTRDPKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5S/c1-4-7-13(8-5-2)19(16,17)12-10(11(14)15)6-9-18-3/h10,12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid?
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid has a molecular weight of 296.39 g/mol, XLogP of 0.43, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 62479156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).