methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate

C12H15NO3 — CID 86322513

IUPACmethyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
SMILESCOC(=O)c1ccccc1O[C@@H]1CCNC1
InChIInChI=1S/C12H15NO3/c1-15-12(14)10-4-2-3-5-11(10)16-9-6-7-13-8-9/h2-5,9,13H,6-8H2,1H3/t9-/m1/s1
InChIKeyFGPWIMFJOVNOGZ-SECBINFHSA-N
MW221.26 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate

methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate (PubChem CID 86322513) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
PubChem CID86322513
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
SMILESCOC(=O)c1ccccc1O[C@@H]1CCNC1
InChIInChI=1S/C12H15NO3/c1-15-12(14)10-4-2-3-5-11(10)16-9-6-7-13-8-9/h2-5,9,13H,6-8H2,1H3/t9-/m1/s1
InChIKeyFGPWIMFJOVNOGZ-SECBINFHSA-N
XLogP1.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(thian-4-yloxy)benzoate
CID 117053874
methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053862
3-(2-ethoxyphenoxy)pyrrolidine
CID 45075484
(3R)-3-(2-ethoxyphenoxy)pyrrolidine
CID 26191976
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
methyl 2-(cyclopropylamino)benzoate
CID 83697867
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate?
The IUPAC name of methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate (CID 86322513) is methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate.
What is the SMILES notation for methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate?
The canonical SMILES for methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate is COC(=O)c1ccccc1O[C@@H]1CCNC1.
What is the InChIKey of methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate?
The InChIKey is FGPWIMFJOVNOGZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-12(14)10-4-2-3-5-11(10)16-9-6-7-13-8-9/h2-5,9,13H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate?
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate has a molecular weight of 221.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate is sourced from PubChem (CID 86322513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).