methyl 2-acetamido-3-iodopropanoate

C6H10INO3 — CID 53375557

IUPACmethyl 2-acetamido-3-iodopropanoate
SMILESCOC(=O)C(CI)NC(C)=O
InChIInChI=1S/C6H10INO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)
InChIKeyKEWBUWKWTVGMSC-UHFFFAOYSA-N
MW271.05 g/mol
LogP0.10
Rot. Bonds3

About methyl 2-acetamido-3-iodopropanoate

methyl 2-acetamido-3-iodopropanoate (PubChem CID 53375557) has the molecular formula C6H10INO3 and a molecular weight of 271.05 g/mol. Its IUPAC name is methyl 2-acetamido-3-iodopropanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-iodopropanoate
PubChem CID53375557
Molecular FormulaC6H10INO3
Molecular Weight271.05 g/mol
Exact Mass270.97
IUPAC Namemethyl 2-acetamido-3-iodopropanoate
SMILESCOC(=O)C(CI)NC(C)=O
InChIInChI=1S/C6H10INO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)
InChIKeyKEWBUWKWTVGMSC-UHFFFAOYSA-N
XLogP0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-iodopropanoate?
The IUPAC name of methyl 2-acetamido-3-iodopropanoate (CID 53375557) is methyl 2-acetamido-3-iodopropanoate.
What is the SMILES notation for methyl 2-acetamido-3-iodopropanoate?
The canonical SMILES for methyl 2-acetamido-3-iodopropanoate is COC(=O)C(CI)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-iodopropanoate?
The InChIKey is KEWBUWKWTVGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of methyl 2-acetamido-3-iodopropanoate?
methyl 2-acetamido-3-iodopropanoate has a molecular weight of 271.05 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-iodopropanoate is sourced from PubChem (CID 53375557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).