tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate

C11H23NO3 — CID 5067288

IUPACtert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)8(7-13)12-9(14)15-11(4,5)6/h8,13H,7H2,1-6H3,(H,12,14)
InChIKeyAZHJHZWFJVBGIL-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate

tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate (PubChem CID 5067288) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
PubChem CID5067288
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)8(7-13)12-9(14)15-11(4,5)6/h8,13H,7H2,1-6H3,(H,12,14)
InChIKeyAZHJHZWFJVBGIL-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 87529067
tert-butyl N-(1,1,1-trifluoro-4,4-dimethylpentan-3-yl)carbamate
CID 59458915
tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
CID 86601015
tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylhex-5-en-2-yl]carbamate
CID 163276049
tert-butyl N-(1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl)carbamate
CID 20744613
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
CID 51898096
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
tert-butyl N-[1-(ethylsulfonylamino)-3,3-dimethylbutan-2-yl]carbamate;ethane
CID 143025368
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate (CID 5067288) is tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)C(C)(C)C.
What is the InChIKey of tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
The InChIKey is AZHJHZWFJVBGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,3)8(7-13)12-9(14)15-11(4,5)6/h8,13H,7H2,1-6H3,(H,12,14).
What are the key properties of tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate?
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate is sourced from PubChem (CID 5067288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).