(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one

C12H15NO3 — CID 153363676

IUPAC(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one
SMILESCOc1cccc([C@]2(N)CCCOC2=O)c1
InChIInChI=1S/C12H15NO3/c1-15-10-5-2-4-9(8-10)12(13)6-3-7-16-11(12)14/h2,4-5,8H,3,6-7,13H2,1H3/t12-/m1/s1
InChIKeyVOUMCXAMSKOKFT-GFCCVEGCSA-N
MW221.26 g/mol
LogP1.19
Rot. Bonds2

About (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one

(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one (PubChem CID 153363676) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one
PubChem CID153363676
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one
SMILESCOc1cccc([C@]2(N)CCCOC2=O)c1
InChIInChI=1S/C12H15NO3/c1-15-10-5-2-4-9(8-10)12(13)6-3-7-16-11(12)14/h2,4-5,8H,3,6-7,13H2,1H3/t12-/m1/s1
InChIKeyVOUMCXAMSKOKFT-GFCCVEGCSA-N
XLogP1.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-methoxyphenyl)-3-(methylamino)oxan-2-one
CID 153363684
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
4-(3-methoxyphenyl)-4-methyl-1,3-oxazinan-2-one
CID 105477275
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one?
The IUPAC name of (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one (CID 153363676) is (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one.
What is the SMILES notation for (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one?
The canonical SMILES for (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one is COc1cccc([C@]2(N)CCCOC2=O)c1.
What is the InChIKey of (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one?
The InChIKey is VOUMCXAMSKOKFT-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-10-5-2-4-9(8-10)12(13)6-3-7-16-11(12)14/h2,4-5,8H,3,6-7,13H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one?
(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one is sourced from PubChem (CID 153363676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).