methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate

C13H17NO3 — CID 51441231

IUPACmethyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@H]1c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-16-12-6-4-3-5-9(12)10-7-14-8-11(10)13(15)17-2/h3-6,10-11,14H,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyMWUXRQCQIMGGAO-QWRGUYRKSA-N
MW235.28 g/mol
LogP1.17
Rot. Bonds3

About methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate

methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate (PubChem CID 51441231) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
PubChem CID51441231
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@H]1c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-16-12-6-4-3-5-9(12)10-7-14-8-11(10)13(15)17-2/h3-6,10-11,14H,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyMWUXRQCQIMGGAO-QWRGUYRKSA-N
XLogP1.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42656378
dimethyl (1R,4S,5S,7R)-5-hydroxy-7-(2-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 15761619
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863
(3R,4S)-4-(2,3-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 56972004
methyl (3R,5R)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942730
methyl (3S,5S)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942732
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373
methyl (3S,4R)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 86685838
methyl (3S,4S)-4-(2-chloro-4-methylphenyl)pyrrolidine-3-carboxylate
CID 129494072
methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798782
methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 119056927
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate (CID 51441231) is methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CNC[C@H]1c1ccccc1OC.
What is the InChIKey of methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate?
The InChIKey is MWUXRQCQIMGGAO-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12-6-4-3-5-9(12)10-7-14-8-11(10)13(15)17-2/h3-6,10-11,14H,7-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate?
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 51441231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).