(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C15H20N2O3 — CID 104905308

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20N2O3/c16-14(7-10-1-3-11(18)4-2-10)15(19)17-8-12-5-6-13(9-17)20-12/h1-4,12-14,18H,5-9,16H2/t12?,13?,14-/m1/s1
InChIKeyGBFFUHSJKJGIJC-JXQTWKCFSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds3

About (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one

(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 104905308) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID104905308
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C15H20N2O3/c16-14(7-10-1-3-11(18)4-2-10)15(19)17-8-12-5-6-13(9-17)20-12/h1-4,12-14,18H,5-9,16H2/t12?,13?,14-/m1/s1
InChIKeyGBFFUHSJKJGIJC-JXQTWKCFSA-N
XLogP0.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
(2S)-2-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104958580
(2S)-2-amino-1-(3,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148000
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905205
2-amino-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 114350702
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127
(2S)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61148613
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 104905308) is (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is N[C@H](Cc1ccc(O)cc1)C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is GBFFUHSJKJGIJC-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-14(7-10-1-3-11(18)4-2-10)15(19)17-8-12-5-6-13(9-17)20-12/h1-4,12-14,18H,5-9,16H2/t12?,13?,14-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
(2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 276.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 104905308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).