4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

C13H20N2O4 — CID 79216843

IUPAC4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC1COCCN1C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H20N2O4/c1-2-11-8-19-6-5-15(11)13(18)14-10-4-3-9(7-10)12(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWYPKQBXZSJXSRV-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.84
Rot. Bonds3

About 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216843) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216843
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCC1COCCN1C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C13H20N2O4/c1-2-11-8-19-6-5-15(11)13(18)14-10-4-3-9(7-10)12(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyWYPKQBXZSJXSRV-UHFFFAOYSA-N
XLogP0.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98549374
5-[(3-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963970
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 79216843) is 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is CCC1COCCN1C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WYPKQBXZSJXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-11-8-19-6-5-15(11)13(18)14-10-4-3-9(7-10)12(16)17/h3-4,9-11H,2,5-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylmorpholine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).