(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one

C20H24N4O2 — CID 158341952

IUPAC(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
SMILESN[C@H]1CC(=O)NC1c1ccccc1.N[C@H]1CC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/2C10H12N2O/c2*11-8-6-9(13)12-10(8)7-4-2-1-3-5-7/h2*1-5,8,10H,6,11H2,(H,12,13)/t8-,10?;8-,10+/m00/s1
InChIKeyGRGRZYVPTJGBBB-GSRWZKODSA-N
MW352.44 g/mol
LogP1.15
Rot. Bonds2

About (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one

(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one (PubChem CID 158341952) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
PubChem CID158341952
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
SMILESN[C@H]1CC(=O)NC1c1ccccc1.N[C@H]1CC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/2C10H12N2O/c2*11-8-6-9(13)12-10(8)7-4-2-1-3-5-7/h2*1-5,8,10H,6,11H2,(H,12,13)/t8-,10?;8-,10+/m00/s1
InChIKeyGRGRZYVPTJGBBB-GSRWZKODSA-N
XLogP1.15
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82284114
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
CID 66102599
(5S,6S)-5-(hydroxymethyl)-6-phenylpiperidin-2-one
CID 168925086
(4R,5S)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 95450321
(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one (CID 158341952) is (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one is N[C@H]1CC(=O)NC1c1ccccc1.N[C@H]1CC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one?
The InChIKey is GRGRZYVPTJGBBB-GSRWZKODSA-N. The full InChI is InChI=1S/2C10H12N2O/c2*11-8-6-9(13)12-10(8)7-4-2-1-3-5-7/h2*1-5,8,10H,6,11H2,(H,12,13)/t8-,10?;8-,10+/m00/s1.
What are the key properties of (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one?
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 158341952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).