[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate

C11H23NO3 — CID 54532018

IUPAC[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
SMILESCC(C)C[C@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)15-10(14)12-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m1/s1
InChIKeyYXEZDQYEDLCQGY-SECBINFHSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds4

About [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate

[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate (PubChem CID 54532018) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
PubChem CID54532018
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate
SMILESCC(C)C[C@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)6-9(7-13)15-10(14)12-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m1/s1
InChIKeyYXEZDQYEDLCQGY-SECBINFHSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
CID 174937493
[1-hydroxy-3-[1-(hydroxymethyl)cyclobutyl]propan-2-yl] N-tert-butylcarbamate
CID 174487792
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
CID 105492969
6-hydroxyhexan-3-yl N-tert-butylcarbamate
CID 87693864
1-(2-hydroxyethoxy)pentan-3-yl N-tert-butylcarbamate
CID 175090573
(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
CID 174489750
3-(methylamino)butan-2-yl N-tert-butylcarbamate
CID 118420980
[(2S)-but-3-yn-2-yl] N-tert-butylcarbamate
CID 142798717
bis(2,6-dimethylheptan-4-yl) propanedioate
CID 174999173
N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61246884
tert-butylcarbamoyl (2S)-2-aminopropanoate
CID 90807776
(2S)-2-(tert-butylcarbamoyloxy)-3,3-dimethylbutanoic acid
CID 58690969

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate (CID 54532018) is [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate is CC(C)C[C@H](CO)OC(=O)NC(C)(C)C.
What is the InChIKey of [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate?
The InChIKey is YXEZDQYEDLCQGY-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)15-10(14)12-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate?
[(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate has a molecular weight of 217.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-4-methylpentan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 54532018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).