trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid

C19H21NO4 — CID 164571501

IUPACtrans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1cccc([C@@H]2C[C@]2(C(=O)O)c2cc(C)ccc2OC)n1
InChIInChI=1S/C19H21NO4/c1-4-24-17-7-5-6-15(20-17)14-11-19(14,18(21)22)13-10-12(2)8-9-16(13)23-3/h5-10,14H,4,11H2,1-3H3,(H,21,22)/t14-,19-/m0/s1
InChIKeyXGLLPGIFYDWSSV-LIRRHRJNSA-N
MW327.38 g/mol
LogP3.31
Rot. Bonds6

About trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 164571501) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID164571501
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nametrans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1cccc([C@@H]2C[C@]2(C(=O)O)c2cc(C)ccc2OC)n1
InChIInChI=1S/C19H21NO4/c1-4-24-17-7-5-6-15(20-17)14-11-19(14,18(21)22)13-10-12(2)8-9-16(13)23-3/h5-10,14H,4,11H2,1-3H3,(H,21,22)/t14-,19-/m0/s1
InChIKeyXGLLPGIFYDWSSV-LIRRHRJNSA-N
XLogP3.31
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
CID 177141348
1-[(1S,2R)-2-(6-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropyl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165001907
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 1-(2-methoxy-5-methylphenyl)-2-(6-methoxy-2-methyl-3-pyridinyl)cyclopropane-1-carboxylate
CID 170691007
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571398
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid (CID 164571501) is trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid is CCOc1cccc([C@@H]2C[C@]2(C(=O)O)c2cc(C)ccc2OC)n1.
What is the InChIKey of trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XGLLPGIFYDWSSV-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-17-7-5-6-15(20-17)14-11-19(14,18(21)22)13-10-12(2)8-9-16(13)23-3/h5-10,14H,4,11H2,1-3H3,(H,21,22)/t14-,19-/m0/s1.
What are the key properties of trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 164571501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).