methyl N-[(1R)-1-iodosylbutyl]carbamate

C6H12INO3 — CID 163635269

IUPACmethyl N-[(1R)-1-iodosylbutyl]carbamate
SMILESCCC[C@H](NC(=O)OC)I=O
InChIInChI=1S/C6H12INO3/c1-3-4-5(7-10)8-6(9)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyHZNVQXHVCUPKCH-YFKPBYRVSA-N
MW273.07 g/mol
LogP1.78
Rot. Bonds4

About methyl N-[(1R)-1-iodosylbutyl]carbamate

methyl N-[(1R)-1-iodosylbutyl]carbamate (PubChem CID 163635269) has the molecular formula C6H12INO3 and a molecular weight of 273.07 g/mol. Its IUPAC name is methyl N-[(1R)-1-iodosylbutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-1-iodosylbutyl]carbamate
PubChem CID163635269
Molecular FormulaC6H12INO3
Molecular Weight273.07 g/mol
Exact Mass272.99
IUPAC Namemethyl N-[(1R)-1-iodosylbutyl]carbamate
SMILESCCC[C@H](NC(=O)OC)I=O
InChIInChI=1S/C6H12INO3/c1-3-4-5(7-10)8-6(9)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyHZNVQXHVCUPKCH-YFKPBYRVSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 51.78
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(methoxycarbonylamino)butyl]carbamate
CID 174942846
methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate
CID 88946224
methyl N-(2-methyl-3-oxohept-1-en-4-yl)carbamate
CID 163422911
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
methyl N-[(3R)-2-oxoheptan-3-yl]carbamate
CID 58257437
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
propyl (2R)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379384
propyl 2-(methoxycarbonylamino)hexanoate
CID 91718656
ethyl (2S)-4-chloro-2-(methoxycarbonylamino)butanoate;hydrochloride
CID 170946491
butyl (2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoate
CID 102379373
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-1-iodosylbutyl]carbamate?
The IUPAC name of methyl N-[(1R)-1-iodosylbutyl]carbamate (CID 163635269) is methyl N-[(1R)-1-iodosylbutyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-1-iodosylbutyl]carbamate?
The canonical SMILES for methyl N-[(1R)-1-iodosylbutyl]carbamate is CCC[C@H](NC(=O)OC)I=O.
What is the InChIKey of methyl N-[(1R)-1-iodosylbutyl]carbamate?
The InChIKey is HZNVQXHVCUPKCH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12INO3/c1-3-4-5(7-10)8-6(9)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of methyl N-[(1R)-1-iodosylbutyl]carbamate?
methyl N-[(1R)-1-iodosylbutyl]carbamate has a molecular weight of 273.07 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-1-iodosylbutyl]carbamate is sourced from PubChem (CID 163635269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).