(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C14H19NO2 — CID 99770501

IUPAC(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@H](O)C(C)(C)C1=O
InChIInChI=1S/C14H19NO2/c1-10(11-7-5-4-6-8-11)15-9-12(16)14(2,3)13(15)17/h4-8,10,12,16H,9H2,1-3H3/t10-,12+/m1/s1
InChIKeyMEXMLZVUBYPCIG-PWSUYJOCSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds2

About (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 99770501) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID99770501
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@H](O)C(C)(C)C1=O
InChIInChI=1S/C14H19NO2/c1-10(11-7-5-4-6-8-11)15-9-12(16)14(2,3)13(15)17/h4-8,10,12,16H,9H2,1-3H3/t10-,12+/m1/s1
InChIKeyMEXMLZVUBYPCIG-PWSUYJOCSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-1-acetyl-3-[(1S)-1-phenylethyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 102533006
3-hydroxy-1-[(1R)-1-phenylethyl]-4-propan-2-ylpyrrolidin-2-one
CID 58335409
(3S,4R)-4-(1-fluoropropyl)-3-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68860633
(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
CID 19354256
2-[4-oxo-5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptan-7-yl]acetic acid
CID 143324738
3,4,4-trimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 70991873
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68945895
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
(2R)-5,6-dioxo-4-[(1R)-1-phenylethyl]piperazine-2-carboxylic acid
CID 142671782
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]imidazolidin-2-one
CID 66713277

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 99770501) is (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is C[C@H](c1ccccc1)N1C[C@H](O)C(C)(C)C1=O.
What is the InChIKey of (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is MEXMLZVUBYPCIG-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(11-7-5-4-6-8-11)15-9-12(16)14(2,3)13(15)17/h4-8,10,12,16H,9H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
(4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 99770501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).