benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate

C24H24N2O2 — CID 102028482

IUPACbenzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1[C@@H](Cc2cccnc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H24N2O2/c27-24(28-18-19-8-3-1-4-9-19)26-22(16-20-10-7-15-25-17-20)13-14-23(26)21-11-5-2-6-12-21/h1-12,15,17,22-23H,13-14,16,18H2/t22-,23+/m1/s1
InChIKeySQXJAGFOXIMPHC-PKTZIBPZSA-N
MW372.47 g/mol
LogP5.17
Rot. Bonds5

About benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate

benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 102028482) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID102028482
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Namebenzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1[C@@H](Cc2cccnc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H24N2O2/c27-24(28-18-19-8-3-1-4-9-19)26-22(16-20-10-7-15-25-17-20)13-14-23(26)21-11-5-2-6-12-21/h1-12,15,17,22-23H,13-14,16,18H2/t22-,23+/m1/s1
InChIKeySQXJAGFOXIMPHC-PKTZIBPZSA-N
XLogP5.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
CID 102084079
(2R,4R)-3-phenylmethoxycarbonyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 68804126
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 2-[(1S)-1-methoxyethyl]-6-pyridin-3-ylpiperazine-1-carboxylate
CID 175291873
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
1-O-benzyl 2-O-methyl (2S,5R)-5-(4-methylphenyl)pyrrolidine-1,2-dicarboxylate
CID 25196147
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
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

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate (CID 102028482) is benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1[C@@H](Cc2cccnc2)CC[C@H]1c1ccccc1.
What is the InChIKey of benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is SQXJAGFOXIMPHC-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(28-18-19-8-3-1-4-9-19)26-22(16-20-10-7-15-25-17-20)13-14-23(26)21-11-5-2-6-12-21/h1-12,15,17,22-23H,13-14,16,18H2/t22-,23+/m1/s1.
What are the key properties of benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate?
benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102028482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).