tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate

C10H21NO3 — CID 10750671

IUPACtert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate
SMILESCC[C@@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-6-10(5,7-12)11-8(13)14-9(2,3)4/h12H,6-7H2,1-5H3,(H,11,13)/t10-/m0/s1
InChIKeyDXWVHHWSIYMIMT-JTQLQIEISA-N
MW203.28 g/mol
LogP1.67
Rot. Bonds3

About tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate (PubChem CID 10750671) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate
PubChem CID10750671
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate
SMILESCC[C@@](C)(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-6-10(5,7-12)11-8(13)14-9(2,3)4/h12H,6-7H2,1-5H3,(H,11,13)/t10-/m0/s1
InChIKeyDXWVHHWSIYMIMT-JTQLQIEISA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 7021464
Boc-D-valinol
CID 11241137
tert-butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate
CID 11286907
tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate
CID 11593669
tert-butyl N-(1-(hydroxymethyl)cyclobutyl)carbamate
CID 25220830
tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate
CID 14578673
tert-butyl N-[1-(2-hydroxyethyl)cyclopropyl]carbamate
CID 12993139
tert-Butyl (4-hydroxy-2-methylbutan-2-yl)carbamate
CID 15473340
Tert-butyl 5-hydroxy-2-methylpentan-2-ylcarbamate
CID 21196030
tert-butyl N-(3-fluoro-1-(hydroxymethyl)cyclobutyl)carbamate
CID 69928403
tert-butyl N-(3-hydroxy-2-methylbutan-2-yl)carbamate
CID 86730181
tert-butyl N-(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)carbamate
CID 154685497

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate (CID 10750671) is tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate is CC[C@@](C)(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate?
The InChIKey is DXWVHHWSIYMIMT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-10(5,7-12)11-8(13)14-9(2,3)4/h12H,6-7H2,1-5H3,(H,11,13)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 10750671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).