benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate

C21H23NO3 — CID 102084079

IUPACbenzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
SMILESCC(=O)C[C@H]1CC[C@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H23NO3/c1-16(23)14-19-12-13-20(18-10-6-3-7-11-18)22(19)21(24)25-15-17-8-4-2-5-9-17/h2-11,19-20H,12-15H2,1H3/t19-,20-/m1/s1
InChIKeyFZYAFAXHXCKEPJ-WOJBJXKFSA-N
MW337.42 g/mol
LogP4.51
Rot. Bonds5

About benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate

benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate (PubChem CID 102084079) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
PubChem CID102084079
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Namebenzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
SMILESCC(=O)C[C@H]1CC[C@H](c2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H23NO3/c1-16(23)14-19-12-13-20(18-10-6-3-7-11-18)22(19)21(24)25-15-17-8-4-2-5-9-17/h2-11,19-20H,12-15H2,1H3/t19-,20-/m1/s1
InChIKeyFZYAFAXHXCKEPJ-WOJBJXKFSA-N
XLogP4.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R,5R)-2-(4-methoxyphenyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 102084081
benzyl (2R,5S)-2-(4-methoxyphenyl)-5-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 102084082
benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 102028482
1-O-benzyl 2-O-methyl (2S,5R)-5-(4-methylphenyl)pyrrolidine-1,2-dicarboxylate
CID 25196147
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
benzyl (2R,5S)-2-(2-acetyloxyethyl)-5-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 73294392
benzyl 3-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 563561
benzyl (2S)-2-(hydroxymethyl)-5-methoxypyrrolidine-1-carboxylate
CID 101130465
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
1-O-benzyl 2-O-methyl (2S,5R)-5-(hydroxymethyl)pyrrolidine-1,2-dicarboxylate
CID 15382863
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate (CID 102084079) is benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate is CC(=O)C[C@H]1CC[C@H](c2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate?
The InChIKey is FZYAFAXHXCKEPJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H23NO3/c1-16(23)14-19-12-13-20(18-10-6-3-7-11-18)22(19)21(24)25-15-17-8-4-2-5-9-17/h2-11,19-20H,12-15H2,1H3/t19-,20-/m1/s1.
What are the key properties of benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate?
benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 102084079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).