4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

C14H20N2O — CID 66713329

IUPAC4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](N)C1CC(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10-,11-,13?/m0/s1
InChIKeyLNGAXYIDZZFUHG-WAQLSPKVSA-N
MW232.33 g/mol
LogP1.94
Rot. Bonds3

About 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one

4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 66713329) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
PubChem CID66713329
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](N)C1CC(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10-,11-,13?/m0/s1
InChIKeyLNGAXYIDZZFUHG-WAQLSPKVSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58945362
4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 22633922
(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58072031
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
tert-butyl N-[(1S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314722
2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide
CID 18654610
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one (CID 66713329) is 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is C[C@H](N)C1CC(=O)N([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is LNGAXYIDZZFUHG-WAQLSPKVSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3/t10-,11-,13?/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one?
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 66713329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).