tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate

C11H23NO3 — CID 87400882

IUPACtert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H23NO3/c1-8(11(5,6)14)7-12-9(13)15-10(2,3)4/h8,14H,7H2,1-6H3,(H,12,13)/t8-/m1/s1
InChIKeyZDZPKYCXWRFGIB-MRVPVSSYSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds3

About tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate

tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate (PubChem CID 87400882) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
PubChem CID87400882
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H23NO3/c1-8(11(5,6)14)7-12-9(13)15-10(2,3)4/h8,14H,7H2,1-6H3,(H,12,13)/t8-/m1/s1
InChIKeyZDZPKYCXWRFGIB-MRVPVSSYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
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2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
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tert-butyl N-(2-amino-3-methylbutyl)carbamate
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tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
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tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
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CID 155160397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate (CID 87400882) is tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate?
The InChIKey is ZDZPKYCXWRFGIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(11(5,6)14)7-12-9(13)15-10(2,3)4/h8,14H,7H2,1-6H3,(H,12,13)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate?
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate has a molecular weight of 217.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate is sourced from PubChem (CID 87400882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).