[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate

C10H20INO3 — CID 146745854

IUPAC[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate
SMILESCCC(C(=O)OCC(O)CNI)C(C)C
InChIInChI=1S/C10H20INO3/c1-4-9(7(2)3)10(14)15-6-8(13)5-12-11/h7-9,12-13H,4-6H2,1-3H3
InChIKeyRLZOKQAPVLOEDI-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.51
Rot. Bonds7

About [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate

[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate (PubChem CID 146745854) has the molecular formula C10H20INO3 and a molecular weight of 329.18 g/mol. Its IUPAC name is [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate
PubChem CID146745854
Molecular FormulaC10H20INO3
Molecular Weight329.18 g/mol
Exact Mass329.05
IUPAC Name[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate
SMILESCCC(C(=O)OCC(O)CNI)C(C)C
InChIInChI=1S/C10H20INO3/c1-4-9(7(2)3)10(14)15-6-8(13)5-12-11/h7-9,12-13H,4-6H2,1-3H3
InChIKeyRLZOKQAPVLOEDI-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(iodoamino)propyl 2-ethyl-3-methylbutanoate
CID 147381797
[2-hydroxy-3-(methylamino)propyl] 2-methylbutanoate
CID 134215870
[3-(carbamoylamino)-2-hydroxypropyl] 2-(2,2-dimethylpropyl)-3-iodo-4-methylpentanoate
CID 138701625
[(2R)-1-[(2R)-2-hydroxybutoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 140587514
2,3-dihydroxypropyl 2-propan-2-yltetradecanoate
CID 50906597
[2-hydroxy-3-(3-iodoanilino)propyl] 2-methylbutanoate
CID 59017798
bis(2-hydroxybutyl) propanedioate
CID 90337144
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate
CID 134215716
3-(2-ethyl-3-methylbutanoyl)oxypropane-1-sulfonic acid
CID 170212209
1-(iodoamino)-3-methylbutan-2-ol
CID 88639475
(2-hydroxy-3-propanoyloxypropyl) 2-methylbutanoate
CID 91017157

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate?
The IUPAC name of [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate (CID 146745854) is [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate.
What is the SMILES notation for [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate?
The canonical SMILES for [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate is CCC(C(=O)OCC(O)CNI)C(C)C.
What is the InChIKey of [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate?
The InChIKey is RLZOKQAPVLOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO3/c1-4-9(7(2)3)10(14)15-6-8(13)5-12-11/h7-9,12-13H,4-6H2,1-3H3.
What are the key properties of [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate?
[2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate has a molecular weight of 329.18 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(iodoamino)propyl] 2-ethyl-3-methylbutanoate is sourced from PubChem (CID 146745854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).