3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 63790124

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CC(C)(C)CNC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,10-17(3)4)9-16-13(18)11-6-5-7-12(8-11)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyXULBFXFQOLKCDD-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.58
Rot. Bonds6

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid

3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63790124) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63790124
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)CC(C)(C)CNC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,10-17(3)4)9-16-13(18)11-6-5-7-12(8-11)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyXULBFXFQOLKCDD-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043352
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpiperidine-2-carboxamide
CID 62340118
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
CID 103840050
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide
CID 95334963
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
3-(5,5,5-trifluoropentylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115521714
1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61181569
(2R)-1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923191
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782619
3-(2-methylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63783173

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 63790124) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(C)CC(C)(C)CNC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XULBFXFQOLKCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,10-17(3)4)9-16-13(18)11-6-5-7-12(8-11)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63790124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).