methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate

C15H19NO3 — CID 135389934

IUPACmethyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CCc3cccc(O)c3C2)C1
InChIInChI=1S/C15H19NO3/c1-19-15(18)11-8-16(9-11)12-6-5-10-3-2-4-14(17)13(10)7-12/h2-4,11-12,17H,5-9H2,1H3
InChIKeyJATHTQSEAKEBAL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.35
Rot. Bonds2

About methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate

methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate (PubChem CID 135389934) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate
PubChem CID135389934
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CCc3cccc(O)c3C2)C1
InChIInChI=1S/C15H19NO3/c1-19-15(18)11-8-16(9-11)12-6-5-10-3-2-4-14(17)13(10)7-12/h2-4,11-12,17H,5-9H2,1H3
InChIKeyJATHTQSEAKEBAL-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-7-piperazin-1-yl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 59144793
dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
CID 134459821
methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
N-(7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696246
1-(8-octoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylic acid
CID 130293507
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
methyl (2S)-5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 70230270
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 57119337
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
CID 67828788
tert-butyl N-[(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 58242220
methyl 2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 105494456

Frequently Asked Questions

What is the IUPAC name of methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate?
The IUPAC name of methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate (CID 135389934) is methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate?
The canonical SMILES for methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate is COC(=O)C1CN(C2CCc3cccc(O)c3C2)C1.
What is the InChIKey of methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate?
The InChIKey is JATHTQSEAKEBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-15(18)11-8-16(9-11)12-6-5-10-3-2-4-14(17)13(10)7-12/h2-4,11-12,17H,5-9H2,1H3.
What are the key properties of methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate?
methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate is sourced from PubChem (CID 135389934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).