2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C14H16N2O3 — CID 152752895

IUPAC2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2N1C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C14H16N2O3/c15-13(18)11-7-9-6-10(9)16(11)14(19)12(17)8-4-2-1-3-5-8/h1-5,9-12,17H,6-7H2,(H2,15,18)/t9?,10?,11?,12-/m1/s1
InChIKeyUFVLYQSREPOENY-XHUCQOSOSA-N
MW260.29 g/mol
LogP0.19
Rot. Bonds3

About 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 152752895) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID152752895
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2N1C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C14H16N2O3/c15-13(18)11-7-9-6-10(9)16(11)14(19)12(17)8-4-2-1-3-5-8/h1-5,9-12,17H,6-7H2,(H2,15,18)/t9?,10?,11?,12-/m1/s1
InChIKeyUFVLYQSREPOENY-XHUCQOSOSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 152752895) is 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2N1C(=O)[C@H](O)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is UFVLYQSREPOENY-XHUCQOSOSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-13(18)11-7-9-6-10(9)16(11)14(19)12(17)8-4-2-1-3-5-8/h1-5,9-12,17H,6-7H2,(H2,15,18)/t9?,10?,11?,12-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-2-phenylacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 152752895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).