2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid

C10H21NO4S — CID 43808028

IUPAC2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NCCS(=O)(=O)CC)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-4-6-10(3,9(12)13)11-7-8-16(14,15)5-2/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyVHRKXNAMZPVHAE-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.65
Rot. Bonds8

About 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid

2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid (PubChem CID 43808028) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
PubChem CID43808028
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NCCS(=O)(=O)CC)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-4-6-10(3,9(12)13)11-7-8-16(14,15)5-2/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyVHRKXNAMZPVHAE-UHFFFAOYSA-N
XLogP0.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
2-methyl-2-(3-methylbutylamino)pentanoic acid
CID 43619536
2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
CID 79810255
2-(2-ethylsulfonylethylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788947
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
2-formamido-2-methylpentanoic acid
CID 61145661
2-methyl-2-(2-methylbutan-2-ylamino)pentanoic acid
CID 114987745

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid (CID 43808028) is 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid is CCCC(C)(NCCS(=O)(=O)CC)C(=O)O.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid?
The InChIKey is VHRKXNAMZPVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-4-6-10(3,9(12)13)11-7-8-16(14,15)5-2/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid?
2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid has a molecular weight of 251.35 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 43808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).