5-(2-methylsulfinylethylamino)pentanoic acid

C8H17NO3S — CID 103266140

IUPAC5-(2-methylsulfinylethylamino)pentanoic acid
SMILESCS(=O)CCNCCCCC(=O)O
InChIInChI=1S/C8H17NO3S/c1-13(12)7-6-9-5-3-2-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyJARSAAHKWNSWIK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.21
Rot. Bonds8

About 5-(2-methylsulfinylethylamino)pentanoic acid

5-(2-methylsulfinylethylamino)pentanoic acid (PubChem CID 103266140) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 5-(2-methylsulfinylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-methylsulfinylethylamino)pentanoic acid
PubChem CID103266140
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name5-(2-methylsulfinylethylamino)pentanoic acid
SMILESCS(=O)CCNCCCCC(=O)O
InChIInChI=1S/C8H17NO3S/c1-13(12)7-6-9-5-3-2-4-8(10)11/h9H,2-7H2,1H3,(H,10,11)
InChIKeyJARSAAHKWNSWIK-UHFFFAOYSA-N
XLogP0.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
5-(propylamino)pentanoic acid
CID 103691549
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
5-(butylamino)pentanoic acid;silver
CID 174567660
4-(3-carboxypropylamino)butanoic acid
CID 4072500

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfinylethylamino)pentanoic acid?
The IUPAC name of 5-(2-methylsulfinylethylamino)pentanoic acid (CID 103266140) is 5-(2-methylsulfinylethylamino)pentanoic acid.
What is the SMILES notation for 5-(2-methylsulfinylethylamino)pentanoic acid?
The canonical SMILES for 5-(2-methylsulfinylethylamino)pentanoic acid is CS(=O)CCNCCCCC(=O)O.
What is the InChIKey of 5-(2-methylsulfinylethylamino)pentanoic acid?
The InChIKey is JARSAAHKWNSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(12)7-6-9-5-3-2-4-8(10)11/h9H,2-7H2,1H3,(H,10,11).
What are the key properties of 5-(2-methylsulfinylethylamino)pentanoic acid?
5-(2-methylsulfinylethylamino)pentanoic acid has a molecular weight of 207.29 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfinylethylamino)pentanoic acid is sourced from PubChem (CID 103266140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).