ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

C12H18N2O3 — CID 176613999

IUPACethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nc2n1CC[C@H](O)C2
InChIInChI=1S/C12H18N2O3/c1-3-9-11(12(16)17-4-2)14-6-5-8(15)7-10(14)13-9/h8,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyAZTXEKFOKVURTQ-QMMMGPOBSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds3

About ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 176613999) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID176613999
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nc2n1CC[C@H](O)C2
InChIInChI=1S/C12H18N2O3/c1-3-9-11(12(16)17-4-2)14-6-5-8(15)7-10(14)13-9/h8,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyAZTXEKFOKVURTQ-QMMMGPOBSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (CID 176613999) is ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(CC)nc2n1CC[C@H](O)C2.
What is the InChIKey of ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is AZTXEKFOKVURTQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-9-11(12(16)17-4-2)14-6-5-8(15)7-10(14)13-9/h8,15H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S)-2-ethyl-7-hydroxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 176613999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).