[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate

C10H10I2N2O4 — CID 51476903

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESC[C@@H](OC(=O)Cn1cc(I)c(=O)c(I)c1)C(N)=O
InChIInChI=1S/C10H10I2N2O4/c1-5(10(13)17)18-8(15)4-14-2-6(11)9(16)7(12)3-14/h2-3,5H,4H2,1H3,(H2,13,17)/t5-/m1/s1
InChIKeyWLEMKGFSTYTSEP-RXMQYKEDSA-N
MW476.01 g/mol
LogP0.47
Rot. Bonds4

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (PubChem CID 51476903) has the molecular formula C10H10I2N2O4 and a molecular weight of 476.01 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
PubChem CID51476903
Molecular FormulaC10H10I2N2O4
Molecular Weight476.01 g/mol
Exact Mass475.87
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESC[C@@H](OC(=O)Cn1cc(I)c(=O)c(I)c1)C(N)=O
InChIInChI=1S/C10H10I2N2O4/c1-5(10(13)17)18-8(15)4-14-2-6(11)9(16)7(12)3-14/h2-3,5H,4H2,1H3,(H2,13,17)/t5-/m1/s1
InChIKeyWLEMKGFSTYTSEP-RXMQYKEDSA-N
XLogP0.47
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.01
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (CID 51476903) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is C[C@@H](OC(=O)Cn1cc(I)c(=O)c(I)c1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The InChIKey is WLEMKGFSTYTSEP-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10I2N2O4/c1-5(10(13)17)18-8(15)4-14-2-6(11)9(16)7(12)3-14/h2-3,5H,4H2,1H3,(H2,13,17)/t5-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate has a molecular weight of 476.01 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 51476903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).