ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

C12H15NO3 — CID 143299555

IUPACethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
SMILESCCOC(=O)C1NCC(O)c2ccccc21
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11-9-6-4-3-5-8(9)10(14)7-13-11/h3-6,10-11,13-14H,2,7H2,1H3
InChIKeyJPXQMRKFGYYCNG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.93
Rot. Bonds2

About ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate (PubChem CID 143299555) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
PubChem CID143299555
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
SMILESCCOC(=O)C1NCC(O)c2ccccc21
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11-9-6-4-3-5-8(9)10(14)7-13-11/h3-6,10-11,13-14H,2,7H2,1H3
InChIKeyJPXQMRKFGYYCNG-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine-1-carboxylate
CID 146313412
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
ethyl 2-oxo-3,4-dihydro-1H-quinazoline-4-carboxylate
CID 22956885
ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10987788
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
(3-amino-2,2-dimethylpropyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 54185238
methyl (1S,4R)-4-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 69345849
ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 134162600
ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 10242614
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate (CID 143299555) is ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate is CCOC(=O)C1NCC(O)c2ccccc21.
What is the InChIKey of ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The InChIKey is JPXQMRKFGYYCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)11-9-6-4-3-5-8(9)10(14)7-13-11/h3-6,10-11,13-14H,2,7H2,1H3.
What are the key properties of ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate is sourced from PubChem (CID 143299555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).