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

C8H15FN2O3 — CID 123904437

IUPACmethyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OC)C(C)(C)F
InChIInChI=1S/C8H15FN2O3/c1-8(2,9)5(6(12)10-3)11-7(13)14-4/h5H,1-4H3,(H,10,12)(H,11,13)
InChIKeyYBOVHBBCUBZJCH-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.21
Rot. Bonds3

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

methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (PubChem CID 123904437) has the molecular formula C8H15FN2O3 and a molecular weight of 206.22 g/mol. Its IUPAC name is methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
PubChem CID123904437
Molecular FormulaC8H15FN2O3
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Namemethyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
SMILESCNC(=O)C(NC(=O)OC)C(C)(C)F
InChIInChI=1S/C8H15FN2O3/c1-8(2,9)5(6(12)10-3)11-7(13)14-4/h5H,1-4H3,(H,10,12)(H,11,13)
InChIKeyYBOVHBBCUBZJCH-UHFFFAOYSA-N
XLogP0.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 21309305
tert-butyl N-[3-hydroxy-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 90203567
2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 145466025
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 23234717
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
CID 27282404
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
methyl N-[1,3-bis(methylamino)-1-oxopropan-2-yl]carbamate
CID 59975039
methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate
CID 2303347
methyl N-(1-fluoroethyl)carbamate
CID 166647333

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate (CID 123904437) is methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is CNC(=O)C(NC(=O)OC)C(C)(C)F.
What is the InChIKey of methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is YBOVHBBCUBZJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3/c1-8(2,9)5(6(12)10-3)11-7(13)14-4/h5H,1-4H3,(H,10,12)(H,11,13).
What are the key properties of methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate?
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 206.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 123904437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).