1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 43358914

IUPAC1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c1-10(16-12(19)14(2,3)4)11(18)17-15(13(20)21)8-6-5-7-9-15/h10H,5-9H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyJHEUQGXLLFRVJM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid

1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 43358914) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID43358914
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c1-10(16-12(19)14(2,3)4)11(18)17-15(13(20)21)8-6-5-7-9-15/h10H,5-9H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyJHEUQGXLLFRVJM-UHFFFAOYSA-N
XLogP1.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
N-[1-[[1-(aminomethyl)cyclopentyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119567720
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 62526681
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
1-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 43360267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid (CID 43358914) is 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid is CC(NC(=O)C(C)(C)C)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JHEUQGXLLFRVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(16-12(19)14(2,3)4)11(18)17-15(13(20)21)8-6-5-7-9-15/h10H,5-9H2,1-4H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid?
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43358914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).