tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate

C10H20FNO2 — CID 144625472

IUPACtert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
SMILESCC(C)[C@H](F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO2/c1-7(2)8(11)6-12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m1/s1
InChIKeyNRGORYSWPULXHB-MRVPVSSYSA-N
MW205.27 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate

tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate (PubChem CID 144625472) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
PubChem CID144625472
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Nametert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
SMILESCC(C)[C@H](F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO2/c1-7(2)8(11)6-12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m1/s1
InChIKeyNRGORYSWPULXHB-MRVPVSSYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[(2R)-2-formyl-3-methylbutyl]carbamate
CID 98041193
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
tert-butyl N-(2-methyl-3-oxopropyl)carbamate
CID 19791000
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate (CID 144625472) is tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate is CC(C)[C@H](F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate?
The InChIKey is NRGORYSWPULXHB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-7(2)8(11)6-12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate?
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate has a molecular weight of 205.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate is sourced from PubChem (CID 144625472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).