[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate

C10H21NO3 — CID 174937493

IUPAC[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
SMILESCC(C)[C@@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7(2)8(6-12)14-9(13)11-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
InChIKeyRTHOQPGNGFHETB-MRVPVSSYSA-N
MW203.28 g/mol
LogP1.53
Rot. Bonds3

About [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate

[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate (PubChem CID 174937493) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
PubChem CID174937493
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate
SMILESCC(C)[C@@H](CO)OC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-7(2)8(6-12)14-9(13)11-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
InChIKeyRTHOQPGNGFHETB-MRVPVSSYSA-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

(1-hydroxy-3-methylbutan-2-yl) acetate
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(2S)-2-(tert-butylcarbamoyloxy)-3,3-dimethylbutanoic acid
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(1-amino-1-oxopropan-2-yl) N-tert-butylcarbamate
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6-hydroxyhexan-3-yl N-tert-butylcarbamate
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2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
[1-hydroxy-3-[1-(hydroxymethyl)cyclobutyl]propan-2-yl] N-tert-butylcarbamate
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N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
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CID 142755204

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate (CID 174937493) is [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate is CC(C)[C@@H](CO)OC(=O)NC(C)(C)C.
What is the InChIKey of [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
The InChIKey is RTHOQPGNGFHETB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7(2)8(6-12)14-9(13)11-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1.
What are the key properties of [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate?
[(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate 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 [(2S)-1-hydroxy-3-methylbutan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174937493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).