[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate

C15H21NO2 — CID 76969825

IUPAC[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/t12-,15-/m1/s1
InChIKeyLUKSBMJXPCFBKO-IUODEOHRSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds3

About [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate

[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate (PubChem CID 76969825) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate.

Molecular Properties

Compound Name[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
PubChem CID76969825
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1C
InChIInChI=1S/C15H21NO2/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/t12-,15-/m1/s1
InChIKeyLUKSBMJXPCFBKO-IUODEOHRSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxybutanedioic acid;(1,2-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
CID 24845621
[(2S,3S)-2-methyl-3-phenyl-1-prop-2-ynylpyrrolidin-3-yl] propanoate
CID 99943263
(1,2-dimethyl-4-phenylpiperidin-4-yl) propanoate
CID 4741130
[2-methyl-3-phenyl-1-(3-phenylprop-2-enyl)pyrrolidin-3-yl] propanoate
CID 3053117
[(2R,3S,5R)-5-tert-butyl-1,2-dimethyl-3-phenylpiperidin-3-yl] propanoate
CID 11894409
[(3S,4S)-1,4-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 97299990
(1,3-dimethyl-4-phenylazepan-4-yl) propanoate;[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
CID 70147210
(4-ethyl-1-methyl-3-phenylpyrrolidin-3-yl) propanoate;hydrochloride
CID 117067300
[(2S,4R,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate
CID 40529228
[(2R,4R,5S)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate
CID 27573473
(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
CID 24843033
(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate
CID 12929320

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate?
The IUPAC name of [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate (CID 76969825) is [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate.
What is the SMILES notation for [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate?
The canonical SMILES for [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate is CCC(=O)O[C@]1(c2ccccc2)CCN(C)[C@@H]1C.
What is the InChIKey of [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate?
The InChIKey is LUKSBMJXPCFBKO-IUODEOHRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate?
[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate is sourced from PubChem (CID 76969825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).