tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate

C8H16INO2 — CID 59077105

IUPACtert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16INO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyCUKVINMIOAQKNB-ZCFIWIBFSA-N
MW285.13 g/mol
LogP2.33
Rot. Bonds2

About tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate (PubChem CID 59077105) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
PubChem CID59077105
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC Nametert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16INO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1
InChIKeyCUKVINMIOAQKNB-ZCFIWIBFSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
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tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
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tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
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tert-butyl N-(5-oxohexan-2-yl)carbamate
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tert-butyl N-(5-aminohexan-2-yl)carbamate
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tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
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tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
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tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate (CID 59077105) is tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate is C[C@H](CI)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The InChIKey is CUKVINMIOAQKNB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16INO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate has a molecular weight of 285.13 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate is sourced from PubChem (CID 59077105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).