tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

C10H21NO3 — CID 21263232

IUPACtert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11-6-10(4,5)7-12/h12H,6-7H2,1-5H3,(H,11,13)
InChIKeyBHIGZYWRVWZUHG-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate

tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate (PubChem CID 21263232) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
PubChem CID21263232
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11-6-10(4,5)7-12/h12H,6-7H2,1-5H3,(H,11,13)
InChIKeyBHIGZYWRVWZUHG-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl N-(4-hydroxybutyl)carbamate
CID 545141
tert-butyl N-(3-hydroxypropyl)carbamate
CID 3838134
tert-butyl N-(2-hydroxypropyl)carbamate
CID 9920508
tert-butyl N-(2,3-dihydroxypropyl)carbamate
CID 4206999
tert-Butyl (3-hydroxypropyl)methylcarbamate
CID 10375241
(S)-tert-Butyl (3-hydroxy-2-methylpropyl)carbamate
CID 10976271
N-Boc-(S)-1-amino-2-propanol
CID 11789722
tert-butyl N-[(3R)-1-hydroxypentan-3-yl]carbamate
CID 93502779
tert-butyl N-{[1-(hydroxymethyl)cyclopropyl]methyl}carbamate
CID 11701224
Tert-butyl (2-hydroxybutyl)carbamate
CID 10198004
tert-butyl N-((2R)-2,3-dihydroxypropyl)carbamate
CID 10104013
tert-butyl N-((2R)-3-hydroxy-2-methylpropyl)carbamate
CID 10655267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate (CID 21263232) is tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate is CC(C)(CO)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The InChIKey is BHIGZYWRVWZUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,3)14-8(13)11-6-10(4,5)7-12/h12H,6-7H2,1-5H3,(H,11,13).
What are the key properties of tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 21263232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).