propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate

C19H27NO2 — CID 164674514

IUPACpropan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCC(C)OC(=O)C1CCC2CCC1N2[C@H](C)c1ccccc1
InChIInChI=1S/C19H27NO2/c1-13(2)22-19(21)17-11-9-16-10-12-18(17)20(16)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16?,17?,18?/m1/s1
InChIKeyRJQOAWMJPWKZRI-UWIAJVCOSA-N
MW301.43 g/mol
LogP3.94
Rot. Bonds4

About propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate

propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 164674514) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID164674514
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namepropan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESCC(C)OC(=O)C1CCC2CCC1N2[C@H](C)c1ccccc1
InChIInChI=1S/C19H27NO2/c1-13(2)22-19(21)17-11-9-16-10-12-18(17)20(16)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16?,17?,18?/m1/s1
InChIKeyRJQOAWMJPWKZRI-UWIAJVCOSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 164674514) is propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate is CC(C)OC(=O)C1CCC2CCC1N2[C@H](C)c1ccccc1.
What is the InChIKey of propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is RJQOAWMJPWKZRI-UWIAJVCOSA-N. The full InChI is InChI=1S/C19H27NO2/c1-13(2)22-19(21)17-11-9-16-10-12-18(17)20(16)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3/t14-,16?,17?,18?/m1/s1.
What are the key properties of propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate?
propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 301.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 164674514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).