tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid

C15H27FN2O2 — CID 146500867

IUPACtert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid
SMILESC[C@@H]1CC2(CCNCC2)[C@H](N(C(=O)O)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C15H27FN2O2/c1-10-9-15(5-7-17-8-6-15)12(11(10)16)18(13(19)20)14(2,3)4/h10-12,17H,5-9H2,1-4H3,(H,19,20)/t10-,11-,12-/m1/s1
InChIKeyGVMPNRMXTFIJOJ-IJLUTSLNSA-N
MW286.39 g/mol
LogP2.88
Rot. Bonds1

About tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid

tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid (PubChem CID 146500867) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid
PubChem CID146500867
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Nametert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid
SMILESC[C@@H]1CC2(CCNCC2)[C@H](N(C(=O)O)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C15H27FN2O2/c1-10-9-15(5-7-17-8-6-15)12(11(10)16)18(13(19)20)14(2,3)4/h10-12,17H,5-9H2,1-4H3,(H,19,20)/t10-,11-,12-/m1/s1
InChIKeyGVMPNRMXTFIJOJ-IJLUTSLNSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid (CID 146500867) is tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid is C[C@@H]1CC2(CCNCC2)[C@H](N(C(=O)O)C(C)(C)C)[C@@H]1F.
What is the InChIKey of tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
The InChIKey is GVMPNRMXTFIJOJ-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-10-9-15(5-7-17-8-6-15)12(11(10)16)18(13(19)20)14(2,3)4/h10-12,17H,5-9H2,1-4H3,(H,19,20)/t10-,11-,12-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid?
tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid has a molecular weight of 286.39 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4S)-3-fluoro-2-methyl-8-azaspiro[4.5]decan-4-yl]carbamic acid is sourced from PubChem (CID 146500867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).