methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate

C14H17FN2O2 — CID 69167573

IUPACmethyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]1CCN2NCc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-19-13(18)14-8-11(14)6-7-17(14)16-9-10-2-4-12(15)5-3-10/h2-5,11,16H,6-9H2,1H3/t11-,14-/m1/s1
InChIKeyKUBHAMDGDKFRDL-BXUZGUMPSA-N
MW264.30 g/mol
LogP1.47
Rot. Bonds4

About methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate

methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 69167573) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID69167573
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Namemethyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]1CCN2NCc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-19-13(18)14-8-11(14)6-7-17(14)16-9-10-2-4-12(15)5-3-10/h2-5,11,16H,6-9H2,1H3/t11-,14-/m1/s1
InChIKeyKUBHAMDGDKFRDL-BXUZGUMPSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 72565182
methyl (2S,3R)-3-[(4-fluorophenyl)methylamino]bicyclo[2.2.2]octane-2-carboxylate
CID 66673609
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
methyl 1-(4-fluoroanilino)-4-methylcyclohexane-1-carboxylate
CID 54889652
methyl (2R,4R)-4-[(4-fluorophenyl)methylamino]-2-methyltricyclo[3.2.1.11,5]nonane-2-carboxylate
CID 163974092
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 2972825
ethyl 3-(4-fluoroanilino)-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 60992355
methyl 3-ethyl-1-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 64513340
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 59049917
N-[(4-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300430

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate (CID 69167573) is methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate is COC(=O)[C@@]12C[C@H]1CCN2NCc1ccc(F)cc1.
What is the InChIKey of methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is KUBHAMDGDKFRDL-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-19-13(18)14-8-11(14)6-7-17(14)16-9-10-2-4-12(15)5-3-10/h2-5,11,16H,6-9H2,1H3/t11-,14-/m1/s1.
What are the key properties of methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate?
methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-2-[(4-fluorophenyl)methylamino]-2-azabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 69167573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).