(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate

C18H25NO3 — CID 3051495

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate
SMILESCN1C2CCC(COC(=O)C(CO)c3ccccc3)C1CC2
InChIInChI=1S/C18H25NO3/c1-19-15-8-7-14(17(19)10-9-15)12-22-18(21)16(11-20)13-5-3-2-4-6-13/h2-6,14-17,20H,7-12H2,1H3
InChIKeyRQZCVQMEDAJOPQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.18
Rot. Bonds5

About (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate

(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate (PubChem CID 3051495) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate
PubChem CID3051495
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate
SMILESCN1C2CCC(COC(=O)C(CO)c3ccccc3)C1CC2
InChIInChI=1S/C18H25NO3/c1-19-15-8-7-14(17(19)10-9-15)12-22-18(21)16(11-20)13-5-3-2-4-6-13/h2-6,14-17,20H,7-12H2,1H3
InChIKeyRQZCVQMEDAJOPQ-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate (CID 3051495) is (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate is CN1C2CCC(COC(=O)C(CO)c3ccccc3)C1CC2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate?
The InChIKey is RQZCVQMEDAJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-19-15-8-7-14(17(19)10-9-15)12-22-18(21)16(11-20)13-5-3-2-4-6-13/h2-6,14-17,20H,7-12H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate?
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate has a molecular weight of 303.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 3051495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).