[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate

C13H21I2NO5 — CID 162509021

IUPAC[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
SMILESCC(I)C(=O)OCC(CN1CCOCC1)OC(=O)C(C)I
InChIInChI=1S/C13H21I2NO5/c1-9(14)12(17)20-8-11(21-13(18)10(2)15)7-16-3-5-19-6-4-16/h9-11H,3-8H2,1-2H3
InChIKeyUIFVQOJRSBRSBX-UHFFFAOYSA-N
MW525.12 g/mol
LogP1.42
Rot. Bonds7

About [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate

[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate (PubChem CID 162509021) has the molecular formula C13H21I2NO5 and a molecular weight of 525.12 g/mol. Its IUPAC name is [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate.

Molecular Properties

Compound Name[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
PubChem CID162509021
Molecular FormulaC13H21I2NO5
Molecular Weight525.12 g/mol
Exact Mass524.95
IUPAC Name[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
SMILESCC(I)C(=O)OCC(CN1CCOCC1)OC(=O)C(C)I
InChIInChI=1S/C13H21I2NO5/c1-9(14)12(17)20-8-11(21-13(18)10(2)15)7-16-3-5-19-6-4-16/h9-11H,3-8H2,1-2H3
InChIKeyUIFVQOJRSBRSBX-UHFFFAOYSA-N
XLogP1.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-O-[(2S)-2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxy-3-morpholin-4-ylpropyl] 1-O-methyl (E)-but-2-enedioate
CID 122436425
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
4-O-[2-[(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoyl]oxy-3-piperidin-1-ylpropyl] 1-O-(4-morpholin-4-ylbutyl) (E)-but-2-enedioate
CID 122436307
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
4-[(2S)-2-methyl-3-propan-2-yloxypropyl]morpholine
CID 172528802
1-morpholin-4-ylpropan-2-yl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate
CID 58855471
4-O-[2-[(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]-4-oxobut-2-enoyl]oxy-3-morpholin-4-ylpropyl] 1-O-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl] (E)-but-2-enedioate
CID 122436485
2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 63070059
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204

Frequently Asked Questions

What is the IUPAC name of [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate?
The IUPAC name of [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate (CID 162509021) is [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate.
What is the SMILES notation for [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate?
The canonical SMILES for [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate is CC(I)C(=O)OCC(CN1CCOCC1)OC(=O)C(C)I.
What is the InChIKey of [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate?
The InChIKey is UIFVQOJRSBRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21I2NO5/c1-9(14)12(17)20-8-11(21-13(18)10(2)15)7-16-3-5-19-6-4-16/h9-11H,3-8H2,1-2H3.
What are the key properties of [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate?
[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate has a molecular weight of 525.12 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate is sourced from PubChem (CID 162509021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).