tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate

C14H23FN2O3 — CID 166415186

IUPACtert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate
SMILESC=CC(=O)N[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23FN2O3/c1-5-11(18)17-10-6-7-14(15,8-10)9-16-12(19)20-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,16,19)(H,17,18)/t10-,14+/m0/s1
InChIKeyJNHYKMDGHUTQPS-IINYFYTJSA-N
MW286.35 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate (PubChem CID 166415186) has the molecular formula C14H23FN2O3 and a molecular weight of 286.35 g/mol. Its IUPAC name is tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate
PubChem CID166415186
Molecular FormulaC14H23FN2O3
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Nametert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate
SMILESC=CC(=O)N[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23FN2O3/c1-5-11(18)17-10-6-7-14(15,8-10)9-16-12(19)20-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,16,19)(H,17,18)/t10-,14+/m0/s1
InChIKeyJNHYKMDGHUTQPS-IINYFYTJSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[1-fluoro-3-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
CID 166410433
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
CID 130067864
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[3-oxo-3-[4-(prop-2-enoylamino)piperidin-1-yl]propyl]carbamate
CID 108919759
tert-butyl N-[[(1S,2R)-2-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
CID 166416215
tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
CID 140958930
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
CID 172506424
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
tert-butyl N-[4-fluoro-4-(2-oxoethylcarbamoyl)cyclohexyl]carbamate
CID 153459245
tert-butyl N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]carbamate
CID 118874546
1-hydroxy-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(sulfinoamino)cyclohexane
CID 153295984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate (CID 166415186) is tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate is C=CC(=O)N[C@H]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate?
The InChIKey is JNHYKMDGHUTQPS-IINYFYTJSA-N. The full InChI is InChI=1S/C14H23FN2O3/c1-5-11(18)17-10-6-7-14(15,8-10)9-16-12(19)20-13(2,3)4/h5,10H,1,6-9H2,2-4H3,(H,16,19)(H,17,18)/t10-,14+/m0/s1.
What are the key properties of tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate has a molecular weight of 286.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,3S)-1-fluoro-3-(prop-2-enoylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 166415186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).