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

C14H20N2O4 — CID 122024519

IUPAC4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESC#CC1COCCN1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O4/c1-2-12-9-20-8-7-16(12)14(19)15-11-5-3-10(4-6-11)13(17)18/h1,10-12H,3-9H2,(H,15,19)(H,17,18)
InChIKeyGQZLHLTYHDXPAP-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.67
Rot. Bonds2

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

4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122024519) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122024519
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESC#CC1COCCN1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H20N2O4/c1-2-12-9-20-8-7-16(12)14(19)15-11-5-3-10(4-6-11)13(17)18/h1,10-12H,3-9H2,(H,15,19)(H,17,18)
InChIKeyGQZLHLTYHDXPAP-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(oxolan-2-yl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023964
4-[(3-benzylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024428
4-[[(3S)-oxolan-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 166261092
4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024034
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
4-[[(3S,4S)-3-methyl-4-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023992
4-[[3-(oxan-4-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023608
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
(3R)-3-[(3S)-3-cyanomorpholine-4-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 124888907
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122024519) is 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is C#CC1COCCN1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GQZLHLTYHDXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-12-9-20-8-7-16(12)14(19)15-11-5-3-10(4-6-11)13(17)18/h1,10-12H,3-9H2,(H,15,19)(H,17,18).
What are the key properties of 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethynylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).