tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate

C11H20FNO3 — CID 14824269

IUPACtert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)F
InChIInChI=1S/C11H20FNO3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyDLICVCXEKQXPBG-QMMMGPOBSA-N
MW233.28 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 14824269) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID14824269
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)F
InChIInChI=1S/C11H20FNO3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1
InChIKeyDLICVCXEKQXPBG-QMMMGPOBSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate
CID 104275
((S)-1-Formyl-2-methyl-butyl)-carbamic acid tert-butyl ester
CID 11053055
((S)-1-Formyl-3,3-dimethyl-butyl)-carbamic acid tert-butyl ester
CID 44326812
tert-butyl N-(4-methyl-1-oxopentan-2-yl)carbamate
CID 546109
((R)-1-Formyl-2-methyl-butyl)-carbamic acid tert-butyl ester
CID 44326653
tert-butyl N-[(2S)-4-methyl-1-oxo(113C)pentan-2-yl]carbamate
CID 44408060
tert-Butyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 2818159
tert-butyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 70810981
tert-butyl N-[(2R)-3-oxopentan-2-yl]carbamate
CID 89133094
N~2~-(tert-Butoxycarbonyl)-L-leucinamide
CID 7201299
t-Butoxycarbonylvaline fluoride
CID 10751345
1,1-Dimethylethyl N-((1S,2S)-1-formyl-2-methylbutyl)carbamate
CID 11390272

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate (CID 14824269) is tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)F.
What is the InChIKey of tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is DLICVCXEKQXPBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 233.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 14824269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).