4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid

C14H22N2O4 — CID 103994441

IUPAC4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H22N2O4/c17-13(18)12-10-20-9-8-16(12)14(19)15-7-6-11-4-2-1-3-5-11/h4,12H,1-3,5-10H2,(H,15,19)(H,17,18)
InChIKeyZWLZTIJHFOUPNZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.37
Rot. Bonds4

About 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid

4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid (PubChem CID 103994441) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
PubChem CID103994441
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H22N2O4/c17-13(18)12-10-20-9-8-16(12)14(19)15-7-6-11-4-2-1-3-5-11/h4,12H,1-3,5-10H2,(H,15,19)(H,17,18)
InChIKeyZWLZTIJHFOUPNZ-UHFFFAOYSA-N
XLogP1.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.37
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

1-[2-(cyclohepten-1-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122010196
1-[2-(cyclohepten-1-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122010199
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 97244674
4-[2-(oxolan-3-yl)ethylcarbamoyl]morpholine-3-carboxylic acid
CID 114131758
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106178428
N-[2-(cyclohexen-1-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide
CID 113103397
2-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 107856024
4-(3-methylsulfanylbutylcarbamoyl)morpholine-3-carboxylic acid
CID 113363829
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126425791
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2224635

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid (CID 103994441) is 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
The InChIKey is ZWLZTIJHFOUPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13(18)12-10-20-9-8-16(12)14(19)15-7-6-11-4-2-1-3-5-11/h4,12H,1-3,5-10H2,(H,15,19)(H,17,18).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid?
4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 103994441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).