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

C11H21FN2O3 — CID 21309305

IUPACtert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F
InChIInChI=1S/C11H21FN2O3/c1-10(2,3)17-9(16)14-7(8(15)13-6)11(4,5)12/h7H,1-6H3,(H,13,15)(H,14,16)/t7-/m1/s1
InChIKeyFBVVMZSFDXRABB-SSDOTTSWSA-N
MW248.30 g/mol
LogP1.37
Rot. Bonds3

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

tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 21309305) has the molecular formula C11H21FN2O3 and a molecular weight of 248.30 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
PubChem CID21309305
Molecular FormulaC11H21FN2O3
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F
InChIInChI=1S/C11H21FN2O3/c1-10(2,3)17-9(16)14-7(8(15)13-6)11(4,5)12/h7H,1-6H3,(H,13,15)(H,14,16)/t7-/m1/s1
InChIKeyFBVVMZSFDXRABB-SSDOTTSWSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 90203567
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 86760074
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-[(2R)-5-(chloroamino)-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 59806972
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
methyl 3-chloro-3,4,4,4-tetrafluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134863080
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (CID 21309305) is tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)F.
What is the InChIKey of tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is FBVVMZSFDXRABB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H21FN2O3/c1-10(2,3)17-9(16)14-7(8(15)13-6)11(4,5)12/h7H,1-6H3,(H,13,15)(H,14,16)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 248.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 21309305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).