methyl N-(2-iodo-2-oxoethyl)carbamate

C4H6INO3 — CID 90151465

IUPACmethyl N-(2-iodo-2-oxoethyl)carbamate
SMILESCOC(=O)NCC(=O)I
InChIInChI=1S/C4H6INO3/c1-9-4(8)6-2-3(5)7/h2H2,1H3,(H,6,8)
InChIKeyYWTSDPAXXSMJNX-UHFFFAOYSA-N
MW243.00 g/mol
LogP0.30
Rot. Bonds2

About methyl N-(2-iodo-2-oxoethyl)carbamate

methyl N-(2-iodo-2-oxoethyl)carbamate (PubChem CID 90151465) has the molecular formula C4H6INO3 and a molecular weight of 243.00 g/mol. Its IUPAC name is methyl N-(2-iodo-2-oxoethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-iodo-2-oxoethyl)carbamate
PubChem CID90151465
Molecular FormulaC4H6INO3
Molecular Weight243.00 g/mol
Exact Mass242.94
IUPAC Namemethyl N-(2-iodo-2-oxoethyl)carbamate
SMILESCOC(=O)NCC(=O)I
InChIInChI=1S/C4H6INO3/c1-9-4(8)6-2-3(5)7/h2H2,1H3,(H,6,8)
InChIKeyYWTSDPAXXSMJNX-UHFFFAOYSA-N
XLogP0.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(methoxycarbonylamino)acetate
CID 14133519
CID 59310774
CID 59310774
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
methanamine;methyl N-(2-amino-2-oxoethyl)carbamate;propane
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methyl N-[4-(methoxycarbonylamino)butyl]carbamate
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methyl N-(2-trimethylsilylethyl)carbamate
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methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
ethane;methyl N-[2-(dimethylamino)ethyl]carbamate
CID 156869212
methyl N-(2-fluoroethyl)carbamate
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methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-iodo-2-oxoethyl)carbamate?
The IUPAC name of methyl N-(2-iodo-2-oxoethyl)carbamate (CID 90151465) is methyl N-(2-iodo-2-oxoethyl)carbamate.
What is the SMILES notation for methyl N-(2-iodo-2-oxoethyl)carbamate?
The canonical SMILES for methyl N-(2-iodo-2-oxoethyl)carbamate is COC(=O)NCC(=O)I.
What is the InChIKey of methyl N-(2-iodo-2-oxoethyl)carbamate?
The InChIKey is YWTSDPAXXSMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INO3/c1-9-4(8)6-2-3(5)7/h2H2,1H3,(H,6,8).
What are the key properties of methyl N-(2-iodo-2-oxoethyl)carbamate?
methyl N-(2-iodo-2-oxoethyl)carbamate has a molecular weight of 243.00 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-iodo-2-oxoethyl)carbamate is sourced from PubChem (CID 90151465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).