(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one

C12H16N2O — CID 11096743

IUPAC(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
SMILESN[C@@H]1CCN(CCc2ccccc2)C1=O
InChIInChI=1S/C12H16N2O/c13-11-7-9-14(12(11)15)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m1/s1
InChIKeyIFFNEMUIEAHYKO-LLVKDONJSA-N
MW204.27 g/mol
LogP0.79
Rot. Bonds3

About (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one

(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 11096743) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID11096743
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
SMILESN[C@@H]1CCN(CCc2ccccc2)C1=O
InChIInChI=1S/C12H16N2O/c13-11-7-9-14(12(11)15)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m1/s1
InChIKeyIFFNEMUIEAHYKO-LLVKDONJSA-N
XLogP0.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
CID 79749381
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
CID 83645468
1-(2-phenylethyl)-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 68582866
(3S)-3-amino-1-[2-(4-amino-3-nitrophenyl)ethyl]pyrrolidin-2-one
CID 20680709
3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 122209783
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one (CID 11096743) is (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one is N[C@@H]1CCN(CCc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is IFFNEMUIEAHYKO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-7-9-14(12(11)15)8-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m1/s1.
What are the key properties of (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one?
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 11096743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).