[(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate

C10H21NO3 — CID 90983542

IUPAC[(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
SMILESC[C@H](OC(=O)NC(C)(C)C)C(C)(C)O
InChIInChI=1S/C10H21NO3/c1-7(10(5,6)13)14-8(12)11-9(2,3)4/h7,13H,1-6H3,(H,11,12)/t7-/m0/s1
InChIKeyQKVFBLXHEYKILY-ZETCQYMHSA-N
MW203.28 g/mol
LogP1.67
Rot. Bonds2

About [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate

[(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate (PubChem CID 90983542) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
PubChem CID90983542
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name[(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
SMILESC[C@H](OC(=O)NC(C)(C)C)C(C)(C)O
InChIInChI=1S/C10H21NO3/c1-7(10(5,6)13)14-8(12)11-9(2,3)4/h7,13H,1-6H3,(H,11,12)/t7-/m0/s1
InChIKeyQKVFBLXHEYKILY-ZETCQYMHSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate (CID 90983542) is [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate is C[C@H](OC(=O)NC(C)(C)C)C(C)(C)O.
What is the InChIKey of [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The InChIKey is QKVFBLXHEYKILY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(10(5,6)13)14-8(12)11-9(2,3)4/h7,13H,1-6H3,(H,11,12)/t7-/m0/s1.
What are the key properties of [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
[(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 90983542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).