tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate

C18H27NO2 — CID 59302348

IUPACtert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCCc1ccccc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-17(20)19-14-8-13-16(19)12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m1/s1
InChIKeyOHQITGZLOQLORY-MRXNPFEDSA-N
MW289.42 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate

tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate (PubChem CID 59302348) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate
PubChem CID59302348
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CCCc1ccccc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)21-17(20)19-14-8-13-16(19)12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m1/s1
InChIKeyOHQITGZLOQLORY-MRXNPFEDSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate (CID 59302348) is tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CCCc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate?
The InChIKey is OHQITGZLOQLORY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)21-17(20)19-14-8-13-16(19)12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3-phenylpropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59302348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).