2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 102627668

IUPAC2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(NC(=O)N2CCOCC2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-10-12(5-4-11(13(18)19)15(10,2)3)16-14(20)17-6-8-21-9-7-17/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPLPJMHOCDKUAIX-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.55
Rot. Bonds2

About 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 102627668) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID102627668
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(NC(=O)N2CCOCC2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-10-12(5-4-11(13(18)19)15(10,2)3)16-14(20)17-6-8-21-9-7-17/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPLPJMHOCDKUAIX-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,6-dihydro-2H-pyridine-1-carbonylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630569
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
4-(but-2-ynoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 107987004
2,2,3-trimethyl-4-[3-(methylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 102629383
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631044
2,2,3-trimethyl-4-(propylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 102627697
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102629379
4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631049
2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107971728
(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
CID 102628805
N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide
CID 128909370

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 102627668) is 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is CC1C(NC(=O)N2CCOCC2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is PLPJMHOCDKUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-12(5-4-11(13(18)19)15(10,2)3)16-14(20)17-6-8-21-9-7-17/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102627668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).