2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid

C14H21NO4S — CID 43619222

IUPAC2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO4S/c1-3-10-14(2,13(16)17)15-20(18,19)11-9-12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3,(H,16,17)
InChIKeyIXARBOVDBYGJMR-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.79
Rot. Bonds8

About 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid

2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid (PubChem CID 43619222) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
PubChem CID43619222
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO4S/c1-3-10-14(2,13(16)17)15-20(18,19)11-9-12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3,(H,16,17)
InChIKeyIXARBOVDBYGJMR-UHFFFAOYSA-N
XLogP1.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(2-phenylethylsulfonylamino)propanoic acid
CID 79790456
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
2-ethyl-2-(2-phenylethylsulfonylamino)butanethioamide
CID 80686540
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
2-anilino-2-methylpentanoic acid
CID 60992039
2-hydroxy-N-(2-methyl-4-phenylbutan-2-yl)ethanesulfonamide
CID 113472600
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 79806634
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid (CID 43619222) is 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid is CCCC(C)(NS(=O)(=O)CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid?
The InChIKey is IXARBOVDBYGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-10-14(2,13(16)17)15-20(18,19)11-9-12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid?
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid has a molecular weight of 299.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 43619222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).