2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid

C14H29NO2S — CID 107755851

IUPAC2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
SMILESCCNC(CC)(CCCSC(C)C(C)C)C(=O)O
InChIInChI=1S/C14H29NO2S/c1-6-14(13(16)17,15-7-2)9-8-10-18-12(5)11(3)4/h11-12,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyZJFBGINSDFINFP-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.39
Rot. Bonds10

About 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid

2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid (PubChem CID 107755851) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
PubChem CID107755851
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
SMILESCCNC(CC)(CCCSC(C)C(C)C)C(=O)O
InChIInChI=1S/C14H29NO2S/c1-6-14(13(16)17,15-7-2)9-8-10-18-12(5)11(3)4/h11-12,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyZJFBGINSDFINFP-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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-(2-methylbutylsulfanyl)pentanoic acid
CID 107756102
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2-ethyl-5-(1-hydroxypropan-2-ylsulfanyl)-2-(methylamino)pentanoic acid
CID 106807651
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-ethyl-2-(ethylamino)-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807267
5-(3,4-dichlorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807590
5-(3-chlorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807484
5-tert-butylsulfanyl-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807286
5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805693
2-ethyl-2-(ethylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806903

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid (CID 107755851) is 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid is CCNC(CC)(CCCSC(C)C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid?
The InChIKey is ZJFBGINSDFINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-6-14(13(16)17,15-7-2)9-8-10-18-12(5)11(3)4/h11-12,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid has a molecular weight of 275.46 g/mol, XLogP of 3.39, 10 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-(3-methylbutan-2-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 107755851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).