[(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate

C22H19NO3 — CID 164682331

IUPAC[(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate
SMILESO=C1CC[C@H]([C@H](OC(=O)c2ccccc2)c2ccc3ccccc3c2)N1
InChIInChI=1S/C22H19NO3/c24-20-13-12-19(23-20)21(26-22(25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,19,21H,12-13H2,(H,23,24)/t19-,21-/m1/s1
InChIKeyLKLOAQOXNIYGJQ-TZIWHRDSSA-N
MW345.40 g/mol
LogP4.02
Rot. Bonds4

About [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate

[(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate (PubChem CID 164682331) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate.

Molecular Properties

Compound Name[(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate
PubChem CID164682331
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate
SMILESO=C1CC[C@H]([C@H](OC(=O)c2ccccc2)c2ccc3ccccc3c2)N1
InChIInChI=1S/C22H19NO3/c24-20-13-12-19(23-20)21(26-22(25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,19,21H,12-13H2,(H,23,24)/t19-,21-/m1/s1
InChIKeyLKLOAQOXNIYGJQ-TZIWHRDSSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-Phenylethyl)carbamoyl]methyl 3,4-dimethylbenzoate
CID 2715809
Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
(S)-2-Acetylamino-3-naphthalen-1-yl-propionic acid 3,5-dimethyl-benzyl ester
CID 10045010
(S)-2-Acetylamino-3-naphthalen-2-yl-propionic acid 3,5-dimethyl-benzyl ester
CID 10429546
Benzoic acid 4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)-piperidin-4-yl]-benzyl ester
CID 44278968
(E)-but-2-enedioic acid;methyl 4-[2-[(2-hydroxy-2-phenanthren-3-ylethyl)amino]propyl]benzoate
CID 44522666
Methyl 4-[2-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]propyl]benzoate
CID 44522670
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 3938542
Methyl 1,3-dioxo-4-(2-phenylmethoxypropyl)benzo[e]isoindole-7-carboxylate
CID 45484142
[2-Oxo-2-(3-phenylpropylamino)ethyl] naphthalene-1-carboxylate
CID 2099276
[2-Oxo-2-(3-phenylpropylamino)ethyl] naphthalene-2-carboxylate
CID 2553946
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] anthracene-9-carboxylate
CID 3996616

Frequently Asked Questions

What is the IUPAC name of [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate?
The IUPAC name of [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate (CID 164682331) is [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate.
What is the SMILES notation for [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate?
The canonical SMILES for [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate is O=C1CC[C@H]([C@H](OC(=O)c2ccccc2)c2ccc3ccccc3c2)N1.
What is the InChIKey of [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate?
The InChIKey is LKLOAQOXNIYGJQ-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H19NO3/c24-20-13-12-19(23-20)21(26-22(25)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,19,21H,12-13H2,(H,23,24)/t19-,21-/m1/s1.
What are the key properties of [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate?
[(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-naphthalen-2-yl-[(2R)-5-oxopyrrolidin-2-yl]methyl] benzoate is sourced from PubChem (CID 164682331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).