(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one

C17H18N2O2 — CID 59905959

IUPAC(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one
SMILESN[C@H]1CCN(C(c2ccccc2)c2cccc(O)c2)C1=O
InChIInChI=1S/C17H18N2O2/c18-15-9-10-19(17(15)21)16(12-5-2-1-3-6-12)13-7-4-8-14(20)11-13/h1-8,11,15-16,20H,9-10,18H2/t15-,16?/m0/s1
InChIKeyFJBGYTSNTKKQML-VYRBHSGPSA-N
MW282.34 g/mol
LogP2.04
Rot. Bonds3

About (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one

(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one (PubChem CID 59905959) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one
PubChem CID59905959
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one
SMILESN[C@H]1CCN(C(c2ccccc2)c2cccc(O)c2)C1=O
InChIInChI=1S/C17H18N2O2/c18-15-9-10-19(17(15)21)16(12-5-2-1-3-6-12)13-7-4-8-14(20)11-13/h1-8,11,15-16,20H,9-10,18H2/t15-,16?/m0/s1
InChIKeyFJBGYTSNTKKQML-VYRBHSGPSA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 18433521
(3S)-1-benzhydryl-2-oxopyrrolidine-3-carboxylic acid
CID 125116655
tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
CID 75511205
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
3-[(R)-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol
CID 56974492
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
(3S)-1-benzhydryl-3-[(2-oxo-3,3-diphenylpropyl)amino]pyrrolidin-2-one
CID 11719836

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one (CID 59905959) is (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one is N[C@H]1CCN(C(c2ccccc2)c2cccc(O)c2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one?
The InChIKey is FJBGYTSNTKKQML-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-15-9-10-19(17(15)21)16(12-5-2-1-3-6-12)13-7-4-8-14(20)11-13/h1-8,11,15-16,20H,9-10,18H2/t15-,16?/m0/s1.
What are the key properties of (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one?
(3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(3-hydroxyphenyl)-phenylmethyl]pyrrolidin-2-one is sourced from PubChem (CID 59905959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).