2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

C15H19N3O2 — CID 144800733

IUPAC2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C12CC3CC(O)(C1)C32
InChIInChI=1S/C15H19N3O2/c16-5-9-1-7-2-10(7)18(9)13(19)12(17)14-3-8-4-15(20,6-14)11(8)14/h7-12,20H,1-4,6,17H2
InChIKeyDKYMALADQKVDGV-UHFFFAOYSA-N
MW273.34 g/mol
LogP-0.01
Rot. Bonds2

About 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 144800733) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID144800733
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C12CC3CC(O)(C1)C32
InChIInChI=1S/C15H19N3O2/c16-5-9-1-7-2-10(7)18(9)13(19)12(17)14-3-8-4-15(20,6-14)11(8)14/h7-12,20H,1-4,6,17H2
InChIKeyDKYMALADQKVDGV-UHFFFAOYSA-N
XLogP-0.01
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 90287705
(1R,3S,5R)-2-[2-amino-2-[(5S)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 134694638
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;dihydrate;hydrochloride
CID 56953550
(1S,3S,5S)-2-[2-amino-2-(7-hydroxy-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 70812237
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-fluoro-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 11419021
(1S,3S,5S)-2-[(2S)-2-amino-2-(5-hydroxy-3-tetracyclo[5.3.1.03,9.05,9]undecanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 148764336
(1S,3S,5S)-2-[(2S)-2-aminopropanoyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 170354568
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile acetate
CID 131744328
(1S,3S)-2-[2-amino-2-[1-(hydroxymethyl)cyclobutyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 147249657
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 91758768
(1S,3S,5S)-2-[(2S)-2-amino-2-[(3R,5S)-3,5-dihydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 11751171
(1S,3S)-2-[2-amino-2-[1-(1-fluoroethenyl)cyclobutyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 118486073

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The IUPAC name of 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 144800733) is 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.
What is the SMILES notation for 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The canonical SMILES for 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is N#CC1CC2CC2N1C(=O)C(N)C12CC3CC(O)(C1)C32.
What is the InChIKey of 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is DKYMALADQKVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-5-9-1-7-2-10(7)18(9)13(19)12(17)14-3-8-4-15(20,6-14)11(8)14/h7-12,20H,1-4,6,17H2.
What are the key properties of 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3-hydroxy-1-tricyclo[3.1.1.03,6]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 144800733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).