5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate

C15H21NO4 — CID 22857133

IUPAC5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CNC(C)=C(C(=O)OC)[C@@H]1C1CCC1
InChIInChI=1S/C15H21NO4/c1-4-20-14(17)11-8-16-9(2)12(15(18)19-3)13(11)10-6-5-7-10/h8,10,13,16H,4-7H2,1-3H3/t13-/m1/s1
InChIKeyLSWLPSPXGJHWAV-CYBMUJFWSA-N
MW279.34 g/mol
LogP1.90
Rot. Bonds4

About 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate

5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 22857133) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID22857133
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CNC(C)=C(C(=O)OC)[C@@H]1C1CCC1
InChIInChI=1S/C15H21NO4/c1-4-20-14(17)11-8-16-9(2)12(15(18)19-3)13(11)10-6-5-7-10/h8,10,13,16H,4-7H2,1-3H3/t13-/m1/s1
InChIKeyLSWLPSPXGJHWAV-CYBMUJFWSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Related Compounds

ethyl 5-cyano-4-cycloheptyl-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 19374805
ethyl (4R)-5-cyano-4-cyclobutyl-6-methyl-1,4-dihydropyridine-3-carboxylate;methylthiourea;hydrochloride
CID 173342495
3-O-ethyl 5-O-methyl (4S)-2-(chloromethyl)-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67787426
3-O-ethyl 5-O-methyl 2-[(carbamothioylamino)methyl]-4-cyclohexyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
CID 173345527
diethyl (2Z)-2-(1-methoxy-1-oxopropan-2-ylidene)-3,6-dihydro-1,3-thiazine-5,6-dicarboxylate
CID 6394374
diethyl (2Z,6R)-2-(1-methoxy-1-oxopropan-2-ylidene)-3,6-dihydro-1,3-thiazine-5,6-dicarboxylate
CID 98563006
ethyl (4S)-4-(2-ethoxy-2-oxoethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92981422
ethyl 4-acetyloxy-2,5-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 22890219
ethyl (5R)-5-(2-hydroxyethyl)cyclopentene-1-carboxylate
CID 139653519
ethyl bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 122519867
diethyl 2-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 71575871
ethyl (1S,8S)-bicyclo[6.2.0]dec-9-ene-9-carboxylate
CID 102411878

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 22857133) is 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=CNC(C)=C(C(=O)OC)[C@@H]1C1CCC1.
What is the InChIKey of 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is LSWLPSPXGJHWAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-20-14(17)11-8-16-9(2)12(15(18)19-3)13(11)10-6-5-7-10/h8,10,13,16H,4-7H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate?
5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 3-O-methyl (4R)-4-cyclobutyl-2-methyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 22857133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).