tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate

C13H21FN2O3 — CID 178127764

IUPACtert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CC(F)C2(CC2)C1
InChIInChI=1S/C13H21FN2O3/c1-12(2,3)19-11(18)15-6-10(17)16-7-9(14)13(8-16)4-5-13/h9H,4-8H2,1-3H3,(H,15,18)
InChIKeyHKHBRFOFUGIZSK-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.47
Rot. Bonds2

About tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate (PubChem CID 178127764) has the molecular formula C13H21FN2O3 and a molecular weight of 272.32 g/mol. Its IUPAC name is tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate
PubChem CID178127764
Molecular FormulaC13H21FN2O3
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Nametert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CC(F)C2(CC2)C1
InChIInChI=1S/C13H21FN2O3/c1-12(2,3)19-11(18)15-6-10(17)16-7-9(14)13(8-16)4-5-13/h9H,4-8H2,1-3H3,(H,15,18)
InChIKeyHKHBRFOFUGIZSK-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-oxo-2-[3-(trifluoromethoxy)pyrrolidin-1-yl]ethyl]carbamate
CID 178127237
tert-butyl N-[2-[5,5-difluoro-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]carbamate
CID 146625848
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
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(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
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tert-butyl N-[2-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[(2R)-4,4-difluoro-2-isocyanopyrrolidin-1-yl]-2-oxoethyl]carbamate
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tert-butyl N-[2-[4-[(cyclopropanecarbonylamino)methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916482
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564
tert-butyl N-[2-[4-(2-cyanoacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate (CID 178127764) is tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CC(F)C2(CC2)C1.
What is the InChIKey of tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate?
The InChIKey is HKHBRFOFUGIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3/c1-12(2,3)19-11(18)15-6-10(17)16-7-9(14)13(8-16)4-5-13/h9H,4-8H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate has a molecular weight of 272.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 178127764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).