[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate

C17H24N2O2 — CID 138483017

IUPAC[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
SMILESCN1C2CC[C@@H]1CC(COC(=O)C(N)c1ccccc1)C2
InChIInChI=1S/C17H24N2O2/c1-19-14-7-8-15(19)10-12(9-14)11-21-17(20)16(18)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,18H2,1H3/t12?,14-,15?,16?/m1/s1
InChIKeyKASVFBQYYRRHSD-WUCYIENKSA-N
MW288.39 g/mol
LogP2.10
Rot. Bonds4

About [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate

[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate (PubChem CID 138483017) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate.

Molecular Properties

Compound Name[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
PubChem CID138483017
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
SMILESCN1C2CC[C@@H]1CC(COC(=O)C(N)c1ccccc1)C2
InChIInChI=1S/C17H24N2O2/c1-19-14-7-8-15(19)10-12(9-14)11-21-17(20)16(18)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,18H2,1H3/t12?,14-,15?,16?/m1/s1
InChIKeyKASVFBQYYRRHSD-WUCYIENKSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate 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

oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
CID 54977387
2-cyclopropylethyl (2S)-2-amino-2-phenylacetate
CID 106202488
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide
CID 5821
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-4,4-difluoro-2-phenylbutanoate
CID 155040572
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
CID 70234124
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
CID 6334600
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
CID 6931560
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
[(1R,3R,6R)-9-methyl-9-azabicyclo[4.2.1]nonan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
CID 98052117

Frequently Asked Questions

What is the IUPAC name of [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate?
The IUPAC name of [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate (CID 138483017) is [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate.
What is the SMILES notation for [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate?
The canonical SMILES for [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate is CN1C2CC[C@@H]1CC(COC(=O)C(N)c1ccccc1)C2.
What is the InChIKey of [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate?
The InChIKey is KASVFBQYYRRHSD-WUCYIENKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-14-7-8-15(19)10-12(9-14)11-21-17(20)16(18)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,18H2,1H3/t12?,14-,15?,16?/m1/s1.
What are the key properties of [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate?
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate has a molecular weight of 288.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate is sourced from PubChem (CID 138483017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).