4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid

C9H18N2O5S — CID 43567410

IUPAC4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
SMILESCCCNC(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-2-5-10-8(12)7-11-17(15,16)6-3-4-9(13)14/h11H,2-7H2,1H3,(H,10,12)(H,13,14)
InChIKeyWAEFLYHFQNCZLM-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.70
Rot. Bonds9

About 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid

4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid (PubChem CID 43567410) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
PubChem CID43567410
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid
SMILESCCCNC(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-2-5-10-8(12)7-11-17(15,16)6-3-4-9(13)14/h11H,2-7H2,1H3,(H,10,12)(H,13,14)
InChIKeyWAEFLYHFQNCZLM-UHFFFAOYSA-N
XLogP-0.70
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852
6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
7-(butylsulfonylamino)heptanoic acid
CID 24704780
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
11-(octylsulfonylamino)undecanoic acid
CID 4605614
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
CID 60952620
(Z)-7-[(1R,2R,3S,4S)-3-[4-[[2-(pentylsulfonylamino)acetyl]amino]butyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70466696

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid (CID 43567410) is 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid is CCCNC(=O)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid?
The InChIKey is WAEFLYHFQNCZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-2-5-10-8(12)7-11-17(15,16)6-3-4-9(13)14/h11H,2-7H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid?
4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(propylamino)ethyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43567410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).