1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid

C17H27NO5 — CID 174325824

IUPAC1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCCOC(=O)C1=C(C)N(C2CCCC2)C(C)(OC)C(C(=O)O)C1
InChIInChI=1S/C17H27NO5/c1-5-23-16(21)13-10-14(15(19)20)17(3,22-4)18(11(13)2)12-8-6-7-9-12/h12,14H,5-10H2,1-4H3,(H,19,20)
InChIKeyBIKWRFPJVXXPHH-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.54
Rot. Bonds5

About 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid

1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid (PubChem CID 174325824) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
PubChem CID174325824
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid
SMILESCCOC(=O)C1=C(C)N(C2CCCC2)C(C)(OC)C(C(=O)O)C1
InChIInChI=1S/C17H27NO5/c1-5-23-16(21)13-10-14(15(19)20)17(3,22-4)18(11(13)2)12-8-6-7-9-12/h12,14H,5-10H2,1-4H3,(H,19,20)
InChIKeyBIKWRFPJVXXPHH-UHFFFAOYSA-N
XLogP2.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-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

ethyl 2-cyclohexyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 15103671
ethyl 5-methoxy-2-(4-methylphenyl)cyclohexene-1-carboxylate
CID 162702669
diethyl 2-cyclohexyl-3-sulfanylidene-1,2-thiazole-4,5-dicarboxylate
CID 122206049
ethyl 1-butyl-2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 102507635
diethyl 1,3-dicyclohexyl-2,4-dihydropyrimidine-5,6-dicarboxylate
CID 56963014
2-O-benzyl 3-O-ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 54733301
ethyl 2-oxo-1,3,5,6,7,8-hexahydropyrrolizine-3-carboxylate
CID 130432586
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
ethyl 1-cyclopentyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 132822328
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid (CID 174325824) is 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid is CCOC(=O)C1=C(C)N(C2CCCC2)C(C)(OC)C(C(=O)O)C1.
What is the InChIKey of 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
The InChIKey is BIKWRFPJVXXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-5-23-16(21)13-10-14(15(19)20)17(3,22-4)18(11(13)2)12-8-6-7-9-12/h12,14H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid?
1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-ethoxycarbonyl-2-methoxy-2,6-dimethyl-3,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 174325824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).