propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C13H25NO4 — CID 11139823

IUPACpropan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C13H25NO4/c1-9(2)16-12(15)8-11-7-10(5-6-14)17-13(3,4)18-11/h9-11H,5-8,14H2,1-4H3/t10-,11-/m1/s1
InChIKeyFJVOASJAYOXPDM-GHMZBOCLSA-N
MW259.35 g/mol
LogP1.59
Rot. Bonds5

About propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 11139823) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID11139823
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namepropan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCC(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIInChI=1S/C13H25NO4/c1-9(2)16-12(15)8-11-7-10(5-6-14)17-13(3,4)18-11/h9-11H,5-8,14H2,1-4H3/t10-,11-/m1/s1
InChIKeyFJVOASJAYOXPDM-GHMZBOCLSA-N
XLogP1.59
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 11139823) is propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is CC(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1.
What is the InChIKey of propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is FJVOASJAYOXPDM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)16-12(15)8-11-7-10(5-6-14)17-13(3,4)18-11/h9-11H,5-8,14H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 259.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 11139823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).