1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 115436758

IUPAC1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC1COCCN1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c1-2-12-10-21-9-8-17(12)14(20)16-11-15(13(18)19)6-4-3-5-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyVPGQIOVWDZUDKF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds4

About 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436758) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436758
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC1COCCN1C(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O4/c1-2-12-10-21-9-8-17(12)14(20)16-11-15(13(18)19)6-4-3-5-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyVPGQIOVWDZUDKF-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(3-ethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62272325
2-(1-aminocyclohexyl)-1-(3-ethylmorpholin-4-yl)ethanone
CID 64684792
4-[[(2-methylazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440562
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
4-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440404
1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106773936
4-[(1-propylcyclopropyl)methylcarbamoyl]morpholine-3-carboxylic acid
CID 113364388
1-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444811
1-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446496
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444790

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115436758) is 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CCC1COCCN1C(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VPGQIOVWDZUDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-12-10-21-9-8-17(12)14(20)16-11-15(13(18)19)6-4-3-5-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).