benzyl (2R)-2-phenylpyrrolidine-1-carboxylate

C18H19NO2 — CID 134959755

IUPACbenzyl (2R)-2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(21-14-15-8-3-1-4-9-15)19-13-7-12-17(19)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-/m1/s1
InChIKeyLODWBPZTQWFXJC-QGZVFWFLSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds3

About benzyl (2R)-2-phenylpyrrolidine-1-carboxylate

benzyl (2R)-2-phenylpyrrolidine-1-carboxylate (PubChem CID 134959755) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl (2R)-2-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-phenylpyrrolidine-1-carboxylate
PubChem CID134959755
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl (2R)-2-phenylpyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(21-14-15-8-3-1-4-9-15)19-13-7-12-17(19)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-/m1/s1
InChIKeyLODWBPZTQWFXJC-QGZVFWFLSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-phenylpyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-phenylpyrrolidine-1-carboxylate (CID 134959755) is benzyl (2R)-2-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-phenylpyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of benzyl (2R)-2-phenylpyrrolidine-1-carboxylate?
The InChIKey is LODWBPZTQWFXJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21-14-15-8-3-1-4-9-15)19-13-7-12-17(19)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-/m1/s1.
What are the key properties of benzyl (2R)-2-phenylpyrrolidine-1-carboxylate?
benzyl (2R)-2-phenylpyrrolidine-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 134959755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).