5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid

C12H26N2O6S — CID 161088986

IUPAC5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
SMILESCCS(=O)(=O)NCCCCC(=O)O.NCCCCC(=O)O
InChIInChI=1S/C7H15NO4S.C5H11NO2/c1-2-13(11,12)8-6-4-3-5-7(9)10;6-4-2-1-3-5(7)8/h8H,2-6H2,1H3,(H,9,10);1-4,6H2,(H,7,8)
InChIKeyUGXKSADDJFFDRJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.38
Rot. Bonds11

About 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid

5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid (PubChem CID 161088986) has the molecular formula C12H26N2O6S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
PubChem CID161088986
Molecular FormulaC12H26N2O6S
Molecular Weight326.42 g/mol
Exact Mass326.15
IUPAC Name5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid
SMILESCCS(=O)(=O)NCCCCC(=O)O.NCCCCC(=O)O
InChIInChI=1S/C7H15NO4S.C5H11NO2/c1-2-13(11,12)8-6-4-3-5-7(9)10;6-4-2-1-3-5(7)8/h8H,2-6H2,1H3,(H,9,10);1-4,6H2,(H,7,8)
InChIKeyUGXKSADDJFFDRJ-UHFFFAOYSA-N
XLogP0.38
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(ethylsulfonylamino)octanoic acid
CID 21103229
7-(butylsulfonylamino)heptanoic acid
CID 24704780
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
11-(octylsulfonylamino)undecanoic acid
CID 4605614
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
11-aminoundecanoic acid;ethane
CID 144914161
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
N-(6-aminohexyl)hydroxylamine;hexanedioic acid
CID 160744161
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246

Frequently Asked Questions

What is the IUPAC name of 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid?
The IUPAC name of 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid (CID 161088986) is 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid?
The canonical SMILES for 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid is CCS(=O)(=O)NCCCCC(=O)O.NCCCCC(=O)O.
What is the InChIKey of 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid?
The InChIKey is UGXKSADDJFFDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S.C5H11NO2/c1-2-13(11,12)8-6-4-3-5-7(9)10;6-4-2-1-3-5(7)8/h8H,2-6H2,1H3,(H,9,10);1-4,6H2,(H,7,8).
What are the key properties of 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid?
5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid has a molecular weight of 326.42 g/mol, XLogP of 0.38, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentanoic acid;5-(ethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 161088986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).