6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid

C14H21NO5 — CID 102932297

IUPAC6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CN(C(=O)C2CC=CCC2C(=O)O)CC(CO)O1
InChIInChI=1S/C14H21NO5/c1-9-6-15(7-10(8-16)20-9)13(17)11-4-2-3-5-12(11)14(18)19/h2-3,9-12,16H,4-8H2,1H3,(H,18,19)
InChIKeyYYYCLXWPRIHSAT-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.26
Rot. Bonds3

About 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid

6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 102932297) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID102932297
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
SMILESCC1CN(C(=O)C2CC=CCC2C(=O)O)CC(CO)O1
InChIInChI=1S/C14H21NO5/c1-9-6-15(7-10(8-16)20-9)13(17)11-4-2-3-5-12(11)14(18)19/h2-3,9-12,16H,4-8H2,1H3,(H,18,19)
InChIKeyYYYCLXWPRIHSAT-UHFFFAOYSA-N
XLogP0.26
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
6-[3-(hydroxymethyl)azetidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 107214663
2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934347
(1R,6R)-6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 124721960
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43562560
6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 103531258
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid (CID 102932297) is 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid is CC1CN(C(=O)C2CC=CCC2C(=O)O)CC(CO)O1.
What is the InChIKey of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is YYYCLXWPRIHSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9-6-15(7-10(8-16)20-9)13(17)11-4-2-3-5-12(11)14(18)19/h2-3,9-12,16H,4-8H2,1H3,(H,18,19).
What are the key properties of 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid?
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 102932297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).