1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

C15H26N2O4 — CID 61290338

IUPAC1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)N2CC(C)OC(C)C2)(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-10-5-4-6-15(7-10,13(18)19)16-14(20)17-8-11(2)21-12(3)9-17/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyAIOLLPURDBCDEI-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds2

About 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61290338) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61290338
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)N2CC(C)OC(C)C2)(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-10-5-4-6-15(7-10,13(18)19)16-14(20)17-8-11(2)21-12(3)9-17/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyAIOLLPURDBCDEI-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104959558
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 115965766
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 102783217
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
3-methyl-1-[(2-methylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 62410921
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 61290338) is 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)N2CC(C)OC(C)C2)(C(=O)O)C1.
What is the InChIKey of 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is AIOLLPURDBCDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-5-4-6-15(7-10,13(18)19)16-14(20)17-8-11(2)21-12(3)9-17/h10-12H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).