(3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one

C16H30N2O3 — CID 54004154

IUPAC(3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one
SMILESCC1CN(C(=O)C(O)[C@H](N)CC2CCCCC2)CC(C)O1
InChIInChI=1S/C16H30N2O3/c1-11-9-18(10-12(2)21-11)16(20)15(19)14(17)8-13-6-4-3-5-7-13/h11-15,19H,3-10,17H2,1-2H3/t11?,12?,14-,15?/m1/s1
InChIKeyKNQYFKCOYGSUBU-NQRDHLDYSA-N
MW298.43 g/mol
LogP1.28
Rot. Bonds4

About (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one

(3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one (PubChem CID 54004154) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one
PubChem CID54004154
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one
SMILESCC1CN(C(=O)C(O)[C@H](N)CC2CCCCC2)CC(C)O1
InChIInChI=1S/C16H30N2O3/c1-11-9-18(10-12(2)21-11)16(20)15(19)14(17)8-13-6-4-3-5-7-13/h11-15,19H,3-10,17H2,1-2H3/t11?,12?,14-,15?/m1/s1
InChIKeyKNQYFKCOYGSUBU-NQRDHLDYSA-N
XLogP1.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one (CID 54004154) is (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one is CC1CN(C(=O)C(O)[C@H](N)CC2CCCCC2)CC(C)O1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one?
The InChIKey is KNQYFKCOYGSUBU-NQRDHLDYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11-9-18(10-12(2)21-11)16(20)15(19)14(17)8-13-6-4-3-5-7-13/h11-15,19H,3-10,17H2,1-2H3/t11?,12?,14-,15?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one?
(3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one has a molecular weight of 298.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)-2-hydroxybutan-1-one is sourced from PubChem (CID 54004154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).