ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate

C10H17NO2 — CID 134971013

IUPACethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)[C@@H](C)CN1
InChIInChI=1S/C10H17NO2/c1-4-13-10(12)9-5-7(2)8(3)6-11-9/h5,7-8,11H,4,6H2,1-3H3/t7-,8-/m0/s1
InChIKeyFYAXFXVFALFOFI-YUMQZZPRSA-N
MW183.25 g/mol
LogP1.31
Rot. Bonds2

About ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate

ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate (PubChem CID 134971013) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate
PubChem CID134971013
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate
SMILESCCOC(=O)C1=C[C@H](C)[C@@H](C)CN1
InChIInChI=1S/C10H17NO2/c1-4-13-10(12)9-5-7(2)8(3)6-11-9/h5,7-8,11H,4,6H2,1-3H3/t7-,8-/m0/s1
InChIKeyFYAXFXVFALFOFI-YUMQZZPRSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 165064993
ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
CID 23529487
ethyl 2,3-dihydro-1H-pyrazole-5-carboxylate
CID 141062238
ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 91508265
ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 10754787
ethyl bicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 122519867
ethyl 4-methyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15011883
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
diethyl 4-methylcyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809203
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
CID 63105364

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate?
The IUPAC name of ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate (CID 134971013) is ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate?
The canonical SMILES for ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate is CCOC(=O)C1=C[C@H](C)[C@@H](C)CN1.
What is the InChIKey of ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate?
The InChIKey is FYAXFXVFALFOFI-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-13-10(12)9-5-7(2)8(3)6-11-9/h5,7-8,11H,4,6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate?
ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-3,4-dimethyl-1,2,3,4-tetrahydropyridine-6-carboxylate is sourced from PubChem (CID 134971013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).