tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate

C11H21INO3+ — CID 134859319

IUPACtert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(O)C(C)(C)[C@]1(C)C[I+]1
InChIInChI=1S/C11H21INO3/c1-9(2,3)16-8(14)13(15)10(4,5)11(6)7-12-11/h15H,7H2,1-6H3/q+1/t11-/m0/s1
InChIKeyHHVXEXKOPCBICZ-NSHDSACASA-N
MW342.20 g/mol
LogP-0.75
Rot. Bonds2

About tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate

tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate (PubChem CID 134859319) has the molecular formula C11H21INO3+ and a molecular weight of 342.20 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate
PubChem CID134859319
Molecular FormulaC11H21INO3+
Molecular Weight342.20 g/mol
Exact Mass342.06
IUPAC Nametert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(O)C(C)(C)[C@]1(C)C[I+]1
InChIInChI=1S/C11H21INO3/c1-9(2,3)16-8(14)13(15)10(4,5)11(6)7-12-11/h15H,7H2,1-6H3/q+1/t11-/m0/s1
InChIKeyHHVXEXKOPCBICZ-NSHDSACASA-N
XLogP-0.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 122508081
(2S)-2-[[(1R)-2,2-dimethylcyclopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 70831421
tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate
CID 11267907
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
1-[fluoro-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 87842086
tert-butyl N-methyl-N-(1-methyl-4-oxocyclohexyl)carbamate
CID 155896883
tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
CID 142576914
1-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl-sulfinoamino]cyclopropane
CID 174718205
tert-butyl N-(2,5-dihydropyrrol-1-yl)-N-methylcarbamate
CID 66881037
4-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 23149699
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxoprop-1-en-2-yl)carbamate
CID 141268386
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate (CID 134859319) is tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)N(O)C(C)(C)[C@]1(C)C[I+]1.
What is the InChIKey of tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate?
The InChIKey is HHVXEXKOPCBICZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H21INO3/c1-9(2,3)16-8(14)13(15)10(4,5)11(6)7-12-11/h15H,7H2,1-6H3/q+1/t11-/m0/s1.
What are the key properties of tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate?
tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate has a molecular weight of 342.20 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[2-[(2R)-2-methyl-iodoniacycloprop-2-yl]propan-2-yl]carbamate is sourced from PubChem (CID 134859319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).