5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid

C15H28N2O5S — CID 122056670

IUPAC5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NC(CCC(=O)O)CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H28N2O5S/c1-17(23(2,21)22)11-14(18)16-13(8-9-15(19)20)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPARXDXPZJZRVJF-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.20
Rot. Bonds9

About 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid

5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 122056670) has the molecular formula C15H28N2O5S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
PubChem CID122056670
Molecular FormulaC15H28N2O5S
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC Name5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NC(CCC(=O)O)CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H28N2O5S/c1-17(23(2,21)22)11-14(18)16-13(8-9-15(19)20)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPARXDXPZJZRVJF-UHFFFAOYSA-N
XLogP1.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
CID 122056765
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]-5-phenylpentanoic acid
CID 120547199
5-cyclohexyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 122056649
N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119590776
5-cyclohexyl-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
5-cyclohexyl-4-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 122056791

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid (CID 122056670) is 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid is CN(CC(=O)NC(CCC(=O)O)CC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is PARXDXPZJZRVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5S/c1-17(23(2,21)22)11-14(18)16-13(8-9-15(19)20)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 348.47 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 122056670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).