tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid

C10H21NO3 — CID 45092001

IUPACtert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
SMILESCC[C@](C)(CO)N(C(=O)O)C(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,13,14)/t10-/m1/s1
InChIKeyYYSUYSVRPKHVKI-SNVBAGLBSA-N
MW203.28 g/mol
LogP1.93
Rot. Bonds3

About tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid

tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid (PubChem CID 45092001) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
PubChem CID45092001
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid
SMILESCC[C@](C)(CO)N(C(=O)O)C(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,13,14)/t10-/m1/s1
InChIKeyYYSUYSVRPKHVKI-SNVBAGLBSA-N
XLogP1.93
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methylbutan-2-yl(3-methylhexan-3-yl)carbamic acid
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(2S)-2-(dimethylamino)-2-methylbutan-1-ol
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CID 175912914
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tert-butyl-(2-methyl-4-oxobutan-2-yl)carbamic acid
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tert-butyl-(1-methoxy-2-methylpropan-2-yl)carbamic acid
CID 89123802
2-(diethylamino)-2-methylpropane-1,3-diol
CID 21452281
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
acetic acid;2-ethyl-2-methylpropane-1,3-diol
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2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid (CID 45092001) is tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid is CC[C@](C)(CO)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid?
The InChIKey is YYSUYSVRPKHVKI-SNVBAGLBSA-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,13,14)/t10-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid has a molecular weight of 203.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-hydroxy-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 45092001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).