methyl 3-(3-aminooxolan-3-yl)benzoate

C12H15NO3 — CID 175421036

IUPACmethyl 3-(3-aminooxolan-3-yl)benzoate
SMILESCOC(=O)c1cccc(C2(N)CCOC2)c1
InChIInChI=1S/C12H15NO3/c1-15-11(14)9-3-2-4-10(7-9)12(13)5-6-16-8-12/h2-4,7H,5-6,8,13H2,1H3
InChIKeyAMKUZEAGYLKYMS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.05
Rot. Bonds2

About methyl 3-(3-aminooxolan-3-yl)benzoate

methyl 3-(3-aminooxolan-3-yl)benzoate (PubChem CID 175421036) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 3-(3-aminooxolan-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-aminooxolan-3-yl)benzoate
PubChem CID175421036
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 3-(3-aminooxolan-3-yl)benzoate
SMILESCOC(=O)c1cccc(C2(N)CCOC2)c1
InChIInChI=1S/C12H15NO3/c1-15-11(14)9-3-2-4-10(7-9)12(13)5-6-16-8-12/h2-4,7H,5-6,8,13H2,1H3
InChIKeyAMKUZEAGYLKYMS-UHFFFAOYSA-N
XLogP1.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminooxolan-3-yl)benzoate?
The IUPAC name of methyl 3-(3-aminooxolan-3-yl)benzoate (CID 175421036) is methyl 3-(3-aminooxolan-3-yl)benzoate.
What is the SMILES notation for methyl 3-(3-aminooxolan-3-yl)benzoate?
The canonical SMILES for methyl 3-(3-aminooxolan-3-yl)benzoate is COC(=O)c1cccc(C2(N)CCOC2)c1.
What is the InChIKey of methyl 3-(3-aminooxolan-3-yl)benzoate?
The InChIKey is AMKUZEAGYLKYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-11(14)9-3-2-4-10(7-9)12(13)5-6-16-8-12/h2-4,7H,5-6,8,13H2,1H3.
What are the key properties of methyl 3-(3-aminooxolan-3-yl)benzoate?
methyl 3-(3-aminooxolan-3-yl)benzoate has a molecular weight of 221.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminooxolan-3-yl)benzoate is sourced from PubChem (CID 175421036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).