4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid

C11H23NO4S — CID 106727471

IUPAC4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
SMILESCC(C)CC(NCCS(=O)(=O)C(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-8(2)7-10(11(13)14)12-5-6-17(15,16)9(3)4/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyYIJAWVVOEPXGFK-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.90
Rot. Bonds8

About 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid

4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid (PubChem CID 106727471) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
PubChem CID106727471
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
SMILESCC(C)CC(NCCS(=O)(=O)C(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-8(2)7-10(11(13)14)12-5-6-17(15,16)9(3)4/h8-10,12H,5-7H2,1-4H3,(H,13,14)
InChIKeyYIJAWVVOEPXGFK-UHFFFAOYSA-N
XLogP0.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
(2S)-4-methyl-2-[(2-propan-2-ylsulfonylacetyl)amino]pentanoic acid
CID 119361403
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
2-(5-hydroxypentylamino)-4-methylpentanoic acid
CID 62228109
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
(2S)-2-[(2-carboxy-2-hydroxyethyl)amino]-4-methylpentanoic acid
CID 91147914
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid (CID 106727471) is 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid is CC(C)CC(NCCS(=O)(=O)C(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid?
The InChIKey is YIJAWVVOEPXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-8(2)7-10(11(13)14)12-5-6-17(15,16)9(3)4/h8-10,12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid?
4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid has a molecular weight of 265.37 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid is sourced from PubChem (CID 106727471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).