3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C14H16N2O3 — CID 64834711

IUPAC3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCOc1ccc(C(N)CN2C(=O)C3CC3C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-9-4-2-8(3-5-9)12(15)7-16-13(17)10-6-11(10)14(16)18/h2-5,10-12H,6-7,15H2,1H3
InChIKeyHGWTULQPSRKSQY-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds4

About 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64834711) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64834711
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCOc1ccc(C(N)CN2C(=O)C3CC3C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-9-4-2-8(3-5-9)12(15)7-16-13(17)10-6-11(10)14(16)18/h2-5,10-12H,6-7,15H2,1H3
InChIKeyHGWTULQPSRKSQY-UHFFFAOYSA-N
XLogP0.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237914
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
CID 63767954
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
1-[2-amino-2-(4-methoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-one
CID 16791728
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64834711) is 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is COc1ccc(C(N)CN2C(=O)C3CC3C2=O)cc1.
What is the InChIKey of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is HGWTULQPSRKSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-9-4-2-8(3-5-9)12(15)7-16-13(17)10-6-11(10)14(16)18/h2-5,10-12H,6-7,15H2,1H3.
What are the key properties of 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64834711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).