(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one

C19H27NO4 — CID 11709756

IUPAC(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@H]1CC(C)(C)OC(=O)N1C(=O)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-12(2)15-11-19(4,5)24-18(23)20(15)17(22)13(3)16(21)14-9-7-6-8-10-14/h6-10,12-13,15-16,21H,11H2,1-5H3/t13-,15-,16-/m1/s1
InChIKeyLLEKRRGXEZZLTH-FVQBIDKESA-N
MW333.43 g/mol
LogP3.53
Rot. Bonds4

About (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one

(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 11709756) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
PubChem CID11709756
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@H]1CC(C)(C)OC(=O)N1C(=O)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-12(2)15-11-19(4,5)24-18(23)20(15)17(22)13(3)16(21)14-9-7-6-8-10-14/h6-10,12-13,15-16,21H,11H2,1-5H3/t13-,15-,16-/m1/s1
InChIKeyLLEKRRGXEZZLTH-FVQBIDKESA-N
XLogP3.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one (CID 11709756) is (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one is CC(C)[C@H]1CC(C)(C)OC(=O)N1C(=O)[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is LLEKRRGXEZZLTH-FVQBIDKESA-N. The full InChI is InChI=1S/C19H27NO4/c1-12(2)15-11-19(4,5)24-18(23)20(15)17(22)13(3)16(21)14-9-7-6-8-10-14/h6-10,12-13,15-16,21H,11H2,1-5H3/t13-,15-,16-/m1/s1.
What are the key properties of (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 333.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 11709756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).