(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one

C13H18N2O2 — CID 131201426

IUPAC(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
SMILESCC[C@@H]1CN(OCc2ccccc2)C(=O)[C@@H]1N
InChIInChI=1S/C13H18N2O2/c1-2-11-8-15(13(16)12(11)14)17-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,14H2,1H3/t11-,12-/m1/s1
InChIKeyWRYZZDNTKVEPFK-VXGBXAGGSA-N
MW234.30 g/mol
LogP1.31
Rot. Bonds4

About (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one

(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one (PubChem CID 131201426) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
PubChem CID131201426
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
SMILESCC[C@@H]1CN(OCc2ccccc2)C(=O)[C@@H]1N
InChIInChI=1S/C13H18N2O2/c1-2-11-8-15(13(16)12(11)14)17-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,14H2,1H3/t11-,12-/m1/s1
InChIKeyWRYZZDNTKVEPFK-VXGBXAGGSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
CID 23052513
3-(2-phenylethyl)-1-phenylmethoxyazetidin-2-one
CID 118225756
(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
CID 155352649
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
1-phenylmethoxyazetidin-3-amine
CID 162036959
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
CID 70961150
(3S,4R)-4-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 89439878
3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
CID 75983023

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one (CID 131201426) is (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one is CC[C@@H]1CN(OCc2ccccc2)C(=O)[C@@H]1N.
What is the InChIKey of (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is WRYZZDNTKVEPFK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-11-8-15(13(16)12(11)14)17-9-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,14H2,1H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one?
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 131201426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).