(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one

C24H24N2O2 — CID 95387074

IUPAC(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one
SMILESNN1C(=O)CC[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c25-26-22(16-17-23(26)27)18-28-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,25H2/t22-/m1/s1
InChIKeyUEKHKUQFTOYNKR-JOCHJYFZSA-N
MW372.47 g/mol
LogP3.86
Rot. Bonds6

About (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one

(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one (PubChem CID 95387074) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one
PubChem CID95387074
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one
SMILESNN1C(=O)CC[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c25-26-22(16-17-23(26)27)18-28-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,25H2/t22-/m1/s1
InChIKeyUEKHKUQFTOYNKR-JOCHJYFZSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
tert-butyl (3R,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11005272
(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
tert-butyl (3S,5S)-3-fluoro-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11016235
tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11144938
(5S)-1-benzyl-5-(trityloxymethyl)pyrrolidin-2-one
CID 11730024
methyl (E)-4-oxo-4-[(5S)-2-oxo-5-(trityloxymethyl)pyrrolidin-1-yl]but-2-enoate
CID 10885174
(5S)-1-[(3S)-3-phenylheptanoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10918621
(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10994288
6-methoxy-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-2-one
CID 11045378
(3R)-1-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-3-phenylmethoxyazetidin-2-one
CID 101069666
(5S)-1-[(Z)-3-phenylprop-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 134871991

Frequently Asked Questions

What is the IUPAC name of (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one (CID 95387074) is (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one is NN1C(=O)CC[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one?
The InChIKey is UEKHKUQFTOYNKR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N2O2/c25-26-22(16-17-23(26)27)18-28-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,25H2/t22-/m1/s1.
What are the key properties of (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one?
(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 95387074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).