ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate

C9H15NO3 — CID 98083148

IUPACethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN=C1OC
InChIInChI=1S/C9H15NO3/c1-3-13-9(11)7-5-4-6-10-8(7)12-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyJPWJEOUKKIECBE-SSDOTTSWSA-N
MW185.22 g/mol
LogP1.00
Rot. Bonds2

About ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate

ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate (PubChem CID 98083148) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate
PubChem CID98083148
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN=C1OC
InChIInChI=1S/C9H15NO3/c1-3-13-9(11)7-5-4-6-10-8(7)12-2/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyJPWJEOUKKIECBE-SSDOTTSWSA-N
XLogP1.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (5R)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 169151613
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CID 10397194
ethyl 3-methyl-2-oxocycloheptane-1-carboxylate
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CID 130026867
ethyl 6,17-dioxo-oxacycloheptadecane-5-carboxylate
CID 11809985
ethyl 2-iminocyclohexane-1-carboxylate
CID 57207114
ethyl (1S)-2-methylidenecyclobutane-1-carboxylate
CID 66915598
trans-ethyl (1R,4R)-4-methyl-2-oxocyclohexane-1-carboxylate
CID 854154
ethyl 7-methylidene-2-oxooxepane-3-carboxylate
CID 132524968
ethyl 3-(2-aminoethyl)-2-oxocyclododecane-1-carboxylate
CID 143751733
ethyl 2-cyanocyclohex-2-ene-1-carboxylate
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ethyl 5,6,7,8-tetrahydroquinoline-5-carboxylate
CID 134691870

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate?
The IUPAC name of ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate (CID 98083148) is ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate?
The canonical SMILES for ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate is CCOC(=O)[C@@H]1CCCN=C1OC.
What is the InChIKey of ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate?
The InChIKey is JPWJEOUKKIECBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-9(11)7-5-4-6-10-8(7)12-2/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate?
ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-6-methoxy-2,3,4,5-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 98083148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).