5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid

C18H32N2O4 — CID 122056765

IUPAC5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
SMILESCN(C)C(=O)CCCC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C18H32N2O4/c1-20(2)17(22)10-6-9-16(21)19-15(11-12-18(23)24)13-14-7-4-3-5-8-14/h14-15H,3-13H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyZCECBJQUYJCIHW-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.56
Rot. Bonds10

About 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid

5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid (PubChem CID 122056765) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
PubChem CID122056765
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid
SMILESCN(C)C(=O)CCCC(=O)NC(CCC(=O)O)CC1CCCCC1
InChIInChI=1S/C18H32N2O4/c1-20(2)17(22)10-6-9-16(21)19-15(11-12-18(23)24)13-14-7-4-3-5-8-14/h14-15H,3-13H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyZCECBJQUYJCIHW-UHFFFAOYSA-N
XLogP2.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434
5-cyclohexyl-4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 122056670
4-[(2-tert-butylsulfonylacetyl)amino]-5-cyclohexylpentanoic acid
CID 122056936
5-cyclohexyl-4-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 122056716
5-cyclohexyl-4-(2-ethoxypropanoylamino)pentanoic acid
CID 122056700
5-cyclohexyl-4-[(2-cyclopentylsulfonylacetyl)amino]pentanoic acid
CID 122056704
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 122056899
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
5-cyclohexyl-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475
5-cyclohexyl-4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]pentanoic acid
CID 122056584
5-cyclohexyl-4-(oxolane-2-carbonylamino)pentanoic acid
CID 122056439

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid (CID 122056765) is 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid is CN(C)C(=O)CCCC(=O)NC(CCC(=O)O)CC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid?
The InChIKey is ZCECBJQUYJCIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-20(2)17(22)10-6-9-16(21)19-15(11-12-18(23)24)13-14-7-4-3-5-8-14/h14-15H,3-13H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid?
5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid has a molecular weight of 340.46 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[[5-(dimethylamino)-5-oxopentanoyl]amino]pentanoic acid is sourced from PubChem (CID 122056765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).