tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate

C9H18BrNO2 — CID 86601426

IUPACtert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
SMILESC[C@@H](CBr)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18BrNO2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyHYTMOLGBQNHTPA-ZETCQYMHSA-N
MW252.15 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate

tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate (PubChem CID 86601426) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
PubChem CID86601426
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Nametert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
SMILESC[C@@H](CBr)CNC(=O)OC(C)(C)C
InChIInChI=1S/C9H18BrNO2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKeyHYTMOLGBQNHTPA-ZETCQYMHSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-methyl-4-(methylamino)butyl]carbamate
CID 143883094
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[4-bromo-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]carbamate
CID 15186009
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
CID 131977667
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate (CID 86601426) is tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate is C[C@@H](CBr)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate?
The InChIKey is HYTMOLGBQNHTPA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate?
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate has a molecular weight of 252.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate is sourced from PubChem (CID 86601426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).