6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

C14H21NO5 — CID 103531258

IUPAC6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCOC1CN(C(=O)C2CC=CCC2C(=O)O)CC1OC
InChIInChI=1S/C14H21NO5/c1-19-11-7-15(8-12(11)20-2)13(16)9-5-3-4-6-10(9)14(17)18/h3-4,9-12H,5-8H2,1-2H3,(H,17,18)
InChIKeyOJCZTDRIJDZJPZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.53
Rot. Bonds4

About 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 103531258) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID103531258
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCOC1CN(C(=O)C2CC=CCC2C(=O)O)CC1OC
InChIInChI=1S/C14H21NO5/c1-19-11-7-15(8-12(11)20-2)13(16)9-5-3-4-6-10(9)14(17)18/h3-4,9-12H,5-8H2,1-2H3,(H,17,18)
InChIKeyOJCZTDRIJDZJPZ-UHFFFAOYSA-N
XLogP0.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,6R)-6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 124721960
6-[3-(hydroxymethyl)azetidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 107214663
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
(1S,6R)-6-[4-(methoxymethyl)piperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 104962457
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
(1S,6R)-6-(piperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 34173784
6-(3-aminopyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 62068915
6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 102743089
(1S,6R)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 104962540
(1S,6R)-6-(4-propylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 30074322
calcium;cyclohex-4-ene-1,2-dicarboxylic acid;hydride
CID 175524215

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 103531258) is 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is COC1CN(C(=O)C2CC=CCC2C(=O)O)CC1OC.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is OJCZTDRIJDZJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-19-11-7-15(8-12(11)20-2)13(16)9-5-3-4-6-10(9)14(17)18/h3-4,9-12H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 283.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 103531258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).