2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid

C14H29NO2S — CID 107756102

IUPAC2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid
SMILESCCNC(CC)(CCCSCC(C)CC)C(=O)O
InChIInChI=1S/C14H29NO2S/c1-5-12(4)11-18-10-8-9-14(6-2,13(16)17)15-7-3/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyOSVTZQJYDNDVKU-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.39
Rot. Bonds11

About 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid

2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid (PubChem CID 107756102) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid
PubChem CID107756102
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid
SMILESCCNC(CC)(CCCSCC(C)CC)C(=O)O
InChIInChI=1S/C14H29NO2S/c1-5-12(4)11-18-10-8-9-14(6-2,13(16)17)15-7-3/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyOSVTZQJYDNDVKU-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.39
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

2-ethyl-2-(ethylamino)-5-propylsulfanylpentanoic acid
CID 106807288
2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755851
2-ethyl-2-(ethylamino)-5-(oxetan-3-ylsulfanyl)pentanoic acid
CID 106807606
5-(2,5-difluorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807405
2-(ethylamino)-2-methyl-3-(2-methylbutylsulfanyl)propanoic acid
CID 107755938
2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764831
3-(aminomethyl)-6-(2-methylbutylsulfanyl)hexan-3-ol
CID 107764964
2-ethyl-2-(ethylamino)-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807267
3-(2-methylbutylsulfanyl)propanoic acid
CID 62105843
5-(3-chlorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807484
5-(3,4-dichlorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807590
2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764817

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid (CID 107756102) is 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid is CCNC(CC)(CCCSCC(C)CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid?
The InChIKey is OSVTZQJYDNDVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-12(4)11-18-10-8-9-14(6-2,13(16)17)15-7-3/h12,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid has a molecular weight of 275.46 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(2-methylbutylsulfanyl)pentanoic acid is sourced from PubChem (CID 107756102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).