tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

C11H22N2O4 — CID 90203567

IUPACtert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-7(8(14)12-6)11(4,5)16/h7,16H,1-6H3,(H,12,14)(H,13,15)
InChIKeyFUQXYPLSMHKAGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.40
Rot. Bonds3

About tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 90203567) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
PubChem CID90203567
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nametert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-7(8(14)12-6)11(4,5)16/h7,16H,1-6H3,(H,12,14)(H,13,15)
InChIKeyFUQXYPLSMHKAGB-UHFFFAOYSA-N
XLogP0.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 21309305
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
tert-butyl N-[4-hydroxy-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 144676019
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 86760074
tert-butyl N-methylcarbamate;ethane
CID 142957488
(2S)-5-methyl-6-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 157241573
tert-butyl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
CID 123936360
tert-butyl N-[(2S)-1-hydroxy-1-iodo-3,3-dimethylbutan-2-yl]carbamate
CID 87726897
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylphosphonous acid
CID 19880117

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (CID 90203567) is tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is CNC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is FUQXYPLSMHKAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,3)17-9(15)13-7(8(14)12-6)11(4,5)16/h7,16H,1-6H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 90203567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).